N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C31H36N4O — CID 25115173

IUPACN-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCCc1ccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C31H36N4O/c1-3-24-12-14-26(15-13-24)31-33-29-10-4-5-11-30(29)35(31)19-7-18-34-20-16-25(17-21-34)27-8-6-9-28(22-27)32-23(2)36/h4-6,8-15,22,25H,3,7,16-21H2,1-2H3,(H,32,36)
InChIKeyVBHVCGAXLQNUKU-UHFFFAOYSA-N
MW480.66 g/mol
LogP6.49
Rot. Bonds8

About N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25115173) has the molecular formula C31H36N4O and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID25115173
Molecular FormulaC31H36N4O
Molecular Weight480.66 g/mol
Exact Mass480.29
IUPAC NameN-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCCc1ccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C31H36N4O/c1-3-24-12-14-26(15-13-24)31-33-29-10-4-5-11-30(29)35(31)19-7-18-34-20-16-25(17-21-34)27-8-6-9-28(22-27)32-23(2)36/h4-6,8-15,22,25H,3,7,16-21H2,1-2H3,(H,32,36)
InChIKeyVBHVCGAXLQNUKU-UHFFFAOYSA-N
XLogP6.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide 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 N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25115173) is N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CCc1ccc(-c2nc3ccccc3n2CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)cc1.
What is the InChIKey of N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is VBHVCGAXLQNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O/c1-3-24-12-14-26(15-13-24)31-33-29-10-4-5-11-30(29)35(31)19-7-18-34-20-16-25(17-21-34)27-8-6-9-28(22-27)32-23(2)36/h4-6,8-15,22,25H,3,7,16-21H2,1-2H3,(H,32,36).
What are the key properties of N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 480.66 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[2-(4-ethylphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25115173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).