2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide

C27H25ClN4O2 — CID 10205583

IUPAC2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN4O2/c28-20-11-6-18(7-12-20)26(33)30-22-13-8-17(9-14-22)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,29,34)(H,30,33)(H,31,32)
InChIKeyGSHCFPJHLFDULX-UHFFFAOYSA-N
MW472.98 g/mol
LogP6.20
Rot. Bonds5

About 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide

2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide (PubChem CID 10205583) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide
PubChem CID10205583
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN4O2/c28-20-11-6-18(7-12-20)26(33)30-22-13-8-17(9-14-22)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,29,34)(H,30,33)(H,31,32)
InChIKeyGSHCFPJHLFDULX-UHFFFAOYSA-N
XLogP6.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide (CID 10205583) is 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The InChIKey is GSHCFPJHLFDULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c28-20-11-6-18(7-12-20)26(33)30-22-13-8-17(9-14-22)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21/h6-16,21H,1-5H2,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 6.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10205583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).