N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide

C21H14N4O — CID 739930

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H14N4O/c22-13-14-9-11-15(12-10-14)21(26)25-17-6-2-1-5-16(17)20-23-18-7-3-4-8-19(18)24-20/h1-12H,(H,23,24)(H,25,26)
InChIKeyLLRVXZPPDMQXIO-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.35
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide (PubChem CID 739930) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
PubChem CID739930
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H14N4O/c22-13-14-9-11-15(12-10-14)21(26)25-17-6-2-1-5-16(17)20-23-18-7-3-4-8-19(18)24-20/h1-12H,(H,23,24)(H,25,26)
InChIKeyLLRVXZPPDMQXIO-UHFFFAOYSA-N
XLogP4.35
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 60527286
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 5159784
4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627
4-[(E)-3-[2-(1H-benzimidazol-2-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002526
2-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]quinazoline-4-carboxamide
CID 59483498
N-[2-[2-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]-4-tert-butylbenzamide
CID 112809550
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
ethyl 4-[4-[[2-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 4283004
4-chloro-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 135995875

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide (CID 739930) is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide?
The InChIKey is LLRVXZPPDMQXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c22-13-14-9-11-15(12-10-14)21(26)25-17-6-2-1-5-16(17)20-23-18-7-3-4-8-19(18)24-20/h1-12H,(H,23,24)(H,25,26).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide has a molecular weight of 338.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-cyanobenzamide is sourced from PubChem (CID 739930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).