[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

C32H36ClN5O — CID 124814675

IUPAC[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C32H36ClN5O/c1-24-7-2-4-10-29(24)36-17-19-37(20-18-36)32(39)26-8-6-16-35(22-26)23-31-34-28-9-3-5-11-30(28)38(31)21-25-12-14-27(33)15-13-25/h2-5,7,9-15,26H,6,8,16-23H2,1H3/t26-/m1/s1
InChIKeyHQAQLDQKVYVYTP-AREMUKBSSA-N
MW542.13 g/mol
LogP5.61
Rot. Bonds6

About [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 124814675) has the molecular formula C32H36ClN5O and a molecular weight of 542.13 g/mol. Its IUPAC name is [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID124814675
Molecular FormulaC32H36ClN5O
Molecular Weight542.13 g/mol
Exact Mass541.26
IUPAC Name[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C32H36ClN5O/c1-24-7-2-4-10-29(24)36-17-19-37(20-18-36)32(39)26-8-6-16-35(22-26)23-31-34-28-9-3-5-11-30(28)38(31)21-25-12-14-27(33)15-13-25/h2-5,7,9-15,26H,6,8,16-23H2,1H3/t26-/m1/s1
InChIKeyHQAQLDQKVYVYTP-AREMUKBSSA-N
XLogP5.61
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.13
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone 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

[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 124793639
[(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2,5-dichlorophenyl)piperazin-1-yl]methanone
CID 124793127
[(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 124794142
[(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone
CID 124790886
[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124830810
[(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 124795518
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124803223
[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124808962
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831134
(4-butylpiperazin-1-yl)-[(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124824788
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 124820717
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-3-yl]methanone
CID 124820679

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 124814675) is [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is HQAQLDQKVYVYTP-AREMUKBSSA-N. The full InChI is InChI=1S/C32H36ClN5O/c1-24-7-2-4-10-29(24)36-17-19-37(20-18-36)32(39)26-8-6-16-35(22-26)23-31-34-28-9-3-5-11-30(28)38(31)21-25-12-14-27(33)15-13-25/h2-5,7,9-15,26H,6,8,16-23H2,1H3/t26-/m1/s1.
What are the key properties of [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 542.13 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 124814675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).