2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide

C27H27ClN4O2 — CID 11691398

IUPAC2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1
InChIInChI=1S/C27H27ClN4O2/c28-22-8-3-18(4-9-22)15-32-13-1-2-19(16-32)17-34-23-10-5-20(6-11-23)27-30-24-12-7-21(26(29)33)14-25(24)31-27/h3-12,14,19H,1-2,13,15-17H2,(H2,29,33)(H,30,31)
InChIKeyKTELPIYYKPZNJT-UHFFFAOYSA-N
MW474.99 g/mol
LogP5.27
Rot. Bonds7

About 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11691398) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11691398
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC Name2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1
InChIInChI=1S/C27H27ClN4O2/c28-22-8-3-18(4-9-22)15-32-13-1-2-19(16-32)17-34-23-10-5-20(6-11-23)27-30-24-12-7-21(26(29)33)14-25(24)31-27/h3-12,14,19H,1-2,13,15-17H2,(H2,29,33)(H,30,31)
InChIKeyKTELPIYYKPZNJT-UHFFFAOYSA-N
XLogP5.27
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Mchb-1
CID 44561533
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
5-tert-butyl-2-{2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11212855
2-{2-Chloro-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-4,5-dimethyl-1H-benzoimidazole
CID 11258458
2-{2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-4,6-dimethyl-1H-1,3-benzodiazole
CID 11258459
4-{2-Chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-3,5-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7,10,12-hexaene
CID 11293460
5-chloro-2-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1H-1,3-benzodiazole
CID 11451949
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11691398) is 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCC4CCCN(Cc5ccc(Cl)cc5)C4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KTELPIYYKPZNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c28-22-8-3-18(4-9-22)15-32-13-1-2-19(16-32)17-34-23-10-5-20(6-11-23)27-30-24-12-7-21(26(29)33)14-25(24)31-27/h3-12,14,19H,1-2,13,15-17H2,(H2,29,33)(H,30,31).
What are the key properties of 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 474.99 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11691398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).