N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide

C12H10N4O — CID 107801614

IUPACN-(2-cyano-3-methylphenyl)imidazole-1-carboxamide
SMILESCc1cccc(NC(=O)n2ccnc2)c1C#N
InChIInChI=1S/C12H10N4O/c1-9-3-2-4-11(10(9)7-13)15-12(17)16-6-5-14-8-16/h2-6,8H,1H3,(H,15,17)
InChIKeyAXQOFUCFKRODHZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.14
Rot. Bonds1

About N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide

N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide (PubChem CID 107801614) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)imidazole-1-carboxamide
PubChem CID107801614
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(2-cyano-3-methylphenyl)imidazole-1-carboxamide
SMILESCc1cccc(NC(=O)n2ccnc2)c1C#N
InChIInChI=1S/C12H10N4O/c1-9-3-2-4-11(10(9)7-13)15-12(17)16-6-5-14-8-16/h2-6,8H,1H3,(H,15,17)
InChIKeyAXQOFUCFKRODHZ-UHFFFAOYSA-N
XLogP2.14
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide
CID 81257291
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-(2,3-difluorophenyl)imidazole-1-carboxamide
CID 81269096
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
CID 79020132
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
N-[2-(methanesulfonamido)phenyl]imidazole-1-carboxamide
CID 81257028
N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide
CID 81257010
N-[3-chloro-2-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257815
N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide
CID 114003640
N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
CID 81257478
N-isoquinolin-5-ylimidazole-1-carboxamide
CID 81257687

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide (CID 107801614) is N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide is Cc1cccc(NC(=O)n2ccnc2)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide?
The InChIKey is AXQOFUCFKRODHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-9-3-2-4-11(10(9)7-13)15-12(17)16-6-5-14-8-16/h2-6,8H,1H3,(H,15,17).
What are the key properties of N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide?
N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide has a molecular weight of 226.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 107801614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).