N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide

C11H7ClN4O — CID 114003640

IUPACN-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide
SMILESN#Cc1ccc(NC(=O)n2ccnc2)c(Cl)c1
InChIInChI=1S/C11H7ClN4O/c12-9-5-8(6-13)1-2-10(9)15-11(17)16-4-3-14-7-16/h1-5,7H,(H,15,17)
InChIKeyUPNVTFWVZFCXJX-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.49
Rot. Bonds1

About N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide

N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide (PubChem CID 114003640) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide
PubChem CID114003640
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC NameN-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide
SMILESN#Cc1ccc(NC(=O)n2ccnc2)c(Cl)c1
InChIInChI=1S/C11H7ClN4O/c12-9-5-8(6-13)1-2-10(9)15-11(17)16-4-3-14-7-16/h1-5,7H,(H,15,17)
InChIKeyUPNVTFWVZFCXJX-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

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Related Compounds

N-(5-chloro-2-cyanophenyl)imidazole-1-carboxamide
CID 81257010
N-[2-chloro-4-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 81257554
N-(4-chloro-2-methylphenyl)imidazole-1-carboxamide
CID 79020132
N-(2-chloro-4-cyanophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107808178
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
N-(2-bromo-3-chlorophenyl)imidazole-1-carboxamide
CID 103481644
N-(2-cyano-3-methylphenyl)imidazole-1-carboxamide
CID 107801614
N-(4-chloro-2-methoxyphenyl)imidazole-1-carboxamide
CID 3468883
N-(2,4,6-trichlorophenyl)imidazole-1-carboxamide
CID 81257477
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
4-amino-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 107810218
N-[2-chloro-5-(propanoylamino)phenyl]imidazole-1-carboxamide
CID 81257482

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide (CID 114003640) is N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide is N#Cc1ccc(NC(=O)n2ccnc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide?
The InChIKey is UPNVTFWVZFCXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-9-5-8(6-13)1-2-10(9)15-11(17)16-4-3-14-7-16/h1-5,7H,(H,15,17).
What are the key properties of N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide?
N-(2-chloro-4-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-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide is sourced from PubChem (CID 114003640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).