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

C22H17ClN4O2 — CID 58961522

IUPAC2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4O2/c1-27(17-9-7-16(23)8-10-17)22(29)14-4-2-13(3-5-14)21-25-18-11-6-15(20(24)28)12-19(18)26-21/h2-12H,1H3,(H2,24,28)(H,25,26)
InChIKeyCVGVSWYXRODYIS-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.26
Rot. Bonds4

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

2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 58961522) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID58961522
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4O2/c1-27(17-9-7-16(23)8-10-17)22(29)14-4-2-13(3-5-14)21-25-18-11-6-15(20(24)28)12-19(18)26-21/h2-12H,1H3,(H2,24,28)(H,25,26)
InChIKeyCVGVSWYXRODYIS-UHFFFAOYSA-N
XLogP4.26
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 58961522) is 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is CN(C(=O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CVGVSWYXRODYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-27(17-9-7-16(23)8-10-17)22(29)14-4-2-13(3-5-14)21-25-18-11-6-15(20(24)28)12-19(18)26-21/h2-12H,1H3,(H2,24,28)(H,25,26).
What are the key properties of 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58961522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).