1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one

C32H37N3O2 — CID 165412806

IUPAC1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one
SMILESO=C(CCCc1ccccc1)N1CCC(n2c(=O)n(CCCCc3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C32H37N3O2/c36-31(20-11-17-27-14-5-2-6-15-27)33-24-21-28(22-25-33)35-30-19-8-7-18-29(30)34(32(35)37)23-10-9-16-26-12-3-1-4-13-26/h1-8,12-15,18-19,28H,9-11,16-17,20-25H2
InChIKeyGLVAZBLDEWPYAU-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.01
Rot. Bonds10

About 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one

1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one (PubChem CID 165412806) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one
PubChem CID165412806
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC Name1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one
SMILESO=C(CCCc1ccccc1)N1CCC(n2c(=O)n(CCCCc3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C32H37N3O2/c36-31(20-11-17-27-14-5-2-6-15-27)33-24-21-28(22-25-33)35-30-19-8-7-18-29(30)34(32(35)37)23-10-9-16-26-12-3-1-4-13-26/h1-8,12-15,18-19,28H,9-11,16-17,20-25H2
InChIKeyGLVAZBLDEWPYAU-UHFFFAOYSA-N
XLogP6.01
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one 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 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one?
The IUPAC name of 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one (CID 165412806) is 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one.
What is the SMILES notation for 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one?
The canonical SMILES for 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one is O=C(CCCc1ccccc1)N1CCC(n2c(=O)n(CCCCc3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one?
The InChIKey is GLVAZBLDEWPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c36-31(20-11-17-27-14-5-2-6-15-27)33-24-21-28(22-25-33)35-30-19-8-7-18-29(30)34(32(35)37)23-10-9-16-26-12-3-1-4-13-26/h1-8,12-15,18-19,28H,9-11,16-17,20-25H2.
What are the key properties of 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one?
1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one has a molecular weight of 495.67 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one is sourced from PubChem (CID 165412806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).