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

C21H15ClN4O2 — CID 11443510

IUPAC2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H15ClN4O2/c22-15-6-8-16(9-7-15)24-21(28)13-3-1-12(2-4-13)20-25-17-10-5-14(19(23)27)11-18(17)26-20/h1-11H,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyQEMULFAUDKUPNT-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.23
Rot. Bonds4

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

2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11443510) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11443510
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H15ClN4O2/c22-15-6-8-16(9-7-15)24-21(28)13-3-1-12(2-4-13)20-25-17-10-5-14(19(23)27)11-18(17)26-20/h1-11H,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyQEMULFAUDKUPNT-UHFFFAOYSA-N
XLogP4.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 11443510) is 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QEMULFAUDKUPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-15-6-8-16(9-7-15)24-21(28)13-3-1-12(2-4-13)20-25-17-10-5-14(19(23)27)11-18(17)26-20/h1-11H,(H2,23,27)(H,24,28)(H,25,26).
What are the key properties of 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11443510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).