N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide

C11H7ClN4O — CID 81257010

IUPACN-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)n1ccnc1
InChIInChI=1S/C11H7ClN4O/c12-9-2-1-8(6-13)10(5-9)15-11(17)16-4-3-14-7-16/h1-5,7H,(H,15,17)
InChIKeyIZCARVIAWLORNM-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.49
Rot. Bonds1

About N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide

N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide (PubChem CID 81257010) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide
PubChem CID81257010
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC NameN-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)n1ccnc1
InChIInChI=1S/C11H7ClN4O/c12-9-2-1-8(6-13)10(5-9)15-11(17)16-4-3-14-7-16/h1-5,7H,(H,15,17)
InChIKeyIZCARVIAWLORNM-UHFFFAOYSA-N
XLogP2.49
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide
CID 114003640
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
N-(3,5-dichlorophenyl)imidazole-1-carboxamide
CID 81257838
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide
CID 107801614
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338
N-(5-chloro-2-cyanophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520351
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 114285571
N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 81257554
N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536857

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide (CID 81257010) is N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)n1ccnc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide?
The InChIKey is IZCARVIAWLORNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-9-2-1-8(6-13)10(5-9)15-11(17)16-4-3-14-7-16/h1-5,7H,(H,15,17).
What are the key properties of N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide?
N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide has a molecular weight of 246.66 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).