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(1,4,5-Trimethyl-1H-imidazol-2-yl)methanol , CAS No.185910-13-8
Basic Description
Synonyms
MFCD08060879 | AT37845 | A880696 | FT-0683977 | DTXSID50634930 | (1,4,5-TRIMETHYLIMIDAZOL-2-YL)METHANOL | (1,4,5-Trimethyl-1H-imidazol-2-yl)methanol, AldrichCPR | AKOS005175072 | LS-04807 | (1,4,5-trimethyl-1H-imidazol-2-yl)methanol(SALTDATA: FREE) | (1,4
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles - Tetrasubstituted imidazoles
Direct Parent
1,2,4,5-tetrasubstituted imidazoles
Alternative Parents
N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,4,5-tetrasubstituted imidazole - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, and 5.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(1,4,5-trimethylimidazol-2-yl)methanol
INCHI
InChI=1S/C7H12N2O/c1-5-6(2)9(3)7(4-10)8-5/h10H,4H2,1-3H3
InChIKey
URGOUROOMPQDGO-UHFFFAOYSA-N
Smiles
CC1=C(N(C(=N1)CO)C)C
Isomeric SMILES
CC1=C(N(C(=N1)CO)C)C
WGK Germany
3
PubChem CID
23555772
Molecular Weight
140.18
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
140.180 g/mol
XLogP3
0.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
140.095 Da
Monoisotopic Mass
140.095 Da
Topological Polar Surface Area
38.100 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
118.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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