N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide

C33H36ClF3N4O — CID 10153238

IUPACN-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCCCCN(Cc1nc2ccccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C33H36ClF3N4O/c1-2-3-19-40(32(42)27-20-26(34)15-16-28(27)33(35,36)37)23-31-38-29-13-7-8-14-30(29)41(31)22-25-12-6-5-11-24(25)21-39-17-9-4-10-18-39/h5-8,11-16,20H,2-4,9-10,17-19,21-23H2,1H3
InChIKeyGSKBUQOGDUTICC-UHFFFAOYSA-N
MW597.13 g/mol
LogP8.19
Rot. Bonds10

About N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide

N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 10153238) has the molecular formula C33H36ClF3N4O and a molecular weight of 597.13 g/mol. Its IUPAC name is N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID10153238
Molecular FormulaC33H36ClF3N4O
Molecular Weight597.13 g/mol
Exact Mass596.25
IUPAC NameN-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide
SMILESCCCCN(Cc1nc2ccccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C33H36ClF3N4O/c1-2-3-19-40(32(42)27-20-26(34)15-16-28(27)33(35,36)37)23-31-38-29-13-7-8-14-30(29)41(31)22-25-12-6-5-11-24(25)21-39-17-9-4-10-18-39/h5-8,11-16,20H,2-4,9-10,17-19,21-23H2,1H3
InChIKeyGSKBUQOGDUTICC-UHFFFAOYSA-N
XLogP8.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.13
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)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 N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide (CID 10153238) is N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide is CCCCN(Cc1nc2ccccc2n1Cc1ccccc1CN1CCCCC1)C(=O)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is GSKBUQOGDUTICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36ClF3N4O/c1-2-3-19-40(32(42)27-20-26(34)15-16-28(27)33(35,36)37)23-31-38-29-13-7-8-14-30(29)41(31)22-25-12-6-5-11-24(25)21-39-17-9-4-10-18-39/h5-8,11-16,20H,2-4,9-10,17-19,21-23H2,1H3.
What are the key properties of N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide?
N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 597.13 g/mol, XLogP of 8.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 10153238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).