2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide

C20H14ClN3O — CID 10269200

IUPAC2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(-c4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O/c21-16-8-5-13(6-9-16)12-1-3-14(4-2-12)20-23-17-10-7-15(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChIKeyCBVZRVMIRYIMRV-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.65
Rot. Bonds3

About 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10269200) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10269200
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(-c4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O/c21-16-8-5-13(6-9-16)12-1-3-14(4-2-12)20-23-17-10-7-15(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChIKeyCBVZRVMIRYIMRV-UHFFFAOYSA-N
XLogP4.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 10269200) is 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(-c4ccc(Cl)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CBVZRVMIRYIMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-16-8-5-13(6-9-16)12-1-3-14(4-2-12)20-23-17-10-7-15(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24).
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10269200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).