N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide

C35H35ClN4O — CID 25114948

IUPACN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C3CCN(CCCn4c(-c5ccc(Cl)cc5)nc5ccccc54)CC3)c2)cc1
InChIInChI=1S/C35H35ClN4O/c1-25-10-12-28(13-11-25)35(41)37-31-7-4-6-29(24-31)26-18-22-39(23-19-26)20-5-21-40-33-9-3-2-8-32(33)38-34(40)27-14-16-30(36)17-15-27/h2-4,6-17,24,26H,5,18-23H2,1H3,(H,37,41)
InChIKeyGWLJYMYPXWBAOY-UHFFFAOYSA-N
MW563.15 g/mol
LogP8.19
Rot. Bonds8

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

N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide (PubChem CID 25114948) has the molecular formula C35H35ClN4O and a molecular weight of 563.15 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide
PubChem CID25114948
Molecular FormulaC35H35ClN4O
Molecular Weight563.15 g/mol
Exact Mass562.25
IUPAC NameN-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C3CCN(CCCn4c(-c5ccc(Cl)cc5)nc5ccccc54)CC3)c2)cc1
InChIInChI=1S/C35H35ClN4O/c1-25-10-12-28(13-11-25)35(41)37-31-7-4-6-29(24-31)26-18-22-39(23-19-26)20-5-21-40-33-9-3-2-8-32(33)38-34(40)27-14-16-30(36)17-15-27/h2-4,6-17,24,26H,5,18-23H2,1H3,(H,37,41)
InChIKeyGWLJYMYPXWBAOY-UHFFFAOYSA-N
XLogP8.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.15
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide 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-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide (CID 25114948) is N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C3CCN(CCCn4c(-c5ccc(Cl)cc5)nc5ccccc54)CC3)c2)cc1.
What is the InChIKey of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide?
The InChIKey is GWLJYMYPXWBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClN4O/c1-25-10-12-28(13-11-25)35(41)37-31-7-4-6-29(24-31)26-18-22-39(23-19-26)20-5-21-40-33-9-3-2-8-32(33)38-34(40)27-14-16-30(36)17-15-27/h2-4,6-17,24,26H,5,18-23H2,1H3,(H,37,41).
What are the key properties of N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide?
N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide has a molecular weight of 563.15 g/mol, XLogP of 8.19, 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-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 25114948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).