3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide

C26H22Cl2N4O2 — CID 10278227

IUPAC3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CCCC4)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H22Cl2N4O2/c27-20-11-9-17(13-21(20)28)26(34)30-19-10-12-22-23(14-19)32-24(31-22)15-5-7-16(8-6-15)25(33)29-18-3-1-2-4-18/h5-14,18H,1-4H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyGEFZNZZSZQIGRZ-UHFFFAOYSA-N
MW493.39 g/mol
LogP6.46
Rot. Bonds5

About 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide

3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 10278227) has the molecular formula C26H22Cl2N4O2 and a molecular weight of 493.39 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID10278227
Molecular FormulaC26H22Cl2N4O2
Molecular Weight493.39 g/mol
Exact Mass492.11
IUPAC Name3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CCCC4)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H22Cl2N4O2/c27-20-11-9-17(13-21(20)28)26(34)30-19-10-12-22-23(14-19)32-24(31-22)15-5-7-16(8-6-15)25(33)29-18-3-1-2-4-18/h5-14,18H,1-4H2,(H,29,33)(H,30,34)(H,31,32)
InChIKeyGEFZNZZSZQIGRZ-UHFFFAOYSA-N
XLogP6.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.39
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide (CID 10278227) is 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(-c3ccc(C(=O)NC4CCCC4)cc3)[nH]c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is GEFZNZZSZQIGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O2/c27-20-11-9-17(13-21(20)28)26(34)30-19-10-12-22-23(14-19)32-24(31-22)15-5-7-16(8-6-15)25(33)29-18-3-1-2-4-18/h5-14,18H,1-4H2,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide?
3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 493.39 g/mol, XLogP of 6.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[4-(cyclopentylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 10278227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).