N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide

C21H14N4O — CID 22109741

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C21H14N4O/c22-13-14-4-3-5-16(12-14)21(26)23-17-10-8-15(9-11-17)20-24-18-6-1-2-7-19(18)25-20/h1-12H,(H,23,26)(H,24,25)
InChIKeySNEDLEQIQDLWFV-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.35
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide (PubChem CID 22109741) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide
PubChem CID22109741
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C21H14N4O/c22-13-14-4-3-5-16(12-14)21(26)23-17-10-8-15(9-11-17)20-24-18-6-1-2-7-19(18)25-20/h1-12H,(H,23,26)(H,24,25)
InChIKeySNEDLEQIQDLWFV-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide (CID 22109741) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide?
The InChIKey is SNEDLEQIQDLWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c22-13-14-4-3-5-16(12-14)21(26)23-17-10-8-15(9-11-17)20-24-18-6-1-2-7-19(18)25-20/h1-12H,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-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-[4-(1H-benzimidazol-2-yl)phenyl]-3-cyanobenzamide is sourced from PubChem (CID 22109741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).