N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide

C12H10N4O — CID 110684044

IUPACN-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H10N4O/c1-8-11(15-7-14-8)12(17)16-10-4-2-3-9(5-10)6-13/h2-5,7H,1H3,(H,14,15)(H,16,17)
InChIKeyJTOUXRMSBSZPRB-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.84
Rot. Bonds2

About N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide

N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 110684044) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID110684044
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H10N4O/c1-8-11(15-7-14-8)12(17)16-10-4-2-3-9(5-10)6-13/h2-5,7H,1H3,(H,14,15)(H,16,17)
InChIKeyJTOUXRMSBSZPRB-UHFFFAOYSA-N
XLogP1.84
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
N-(3-cyanophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110864841
N-(3-cyanophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864862
N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
3,4,5,6-tetrachloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 26727984
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
CID 110864739
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 110684044) is N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is JTOUXRMSBSZPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-11(15-7-14-8)12(17)16-10-4-2-3-9(5-10)6-13/h2-5,7H,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 226.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 110684044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).