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

C26H23ClN4O2 — CID 10204766

IUPAC2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN4O2/c27-19-10-5-17(6-11-19)25(32)29-21-12-7-16(8-13-21)24-30-22-14-9-18(15-23(22)31-24)26(33)28-20-3-1-2-4-20/h5-15,20H,1-4H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyIJTHIMFXAYHWMI-UHFFFAOYSA-N
MW458.95 g/mol
LogP5.81
Rot. Bonds5

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

2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide (PubChem CID 10204766) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide
PubChem CID10204766
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC Name2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H23ClN4O2/c27-19-10-5-17(6-11-19)25(32)29-21-12-7-16(8-13-21)24-30-22-14-9-18(15-23(22)31-24)26(33)28-20-3-1-2-4-20/h5-15,20H,1-4H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyIJTHIMFXAYHWMI-UHFFFAOYSA-N
XLogP5.81
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.95
LogP ≤ 55.81
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-cyclopentyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide (CID 10204766) is 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(-c2nc3ccc(C(=O)NC4CCCC4)cc3[nH]2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide?
The InChIKey is IJTHIMFXAYHWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c27-19-10-5-17(6-11-19)25(32)29-21-12-7-16(8-13-21)24-30-22-14-9-18(15-23(22)31-24)26(33)28-20-3-1-2-4-20/h5-15,20H,1-4H2,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of 2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide?
2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-3H-benzimidazole-5-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 5.81, 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-cyclopentyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10204766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).