(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone

C31H41N5O — CID 20887019

IUPAC(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
SMILESCc1ccc(Cn2c(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C31H41N5O/c1-24-11-13-25(14-12-24)23-36-29-10-6-5-9-28(29)32-31(36)35-17-15-26(16-18-35)30(37)34-21-19-33(20-22-34)27-7-3-2-4-8-27/h5-6,9-14,26-27H,2-4,7-8,15-23H2,1H3
InChIKeyOPWXDNUMSBCWIR-UHFFFAOYSA-N
MW499.70 g/mol
LogP5.09
Rot. Bonds5

About (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone (PubChem CID 20887019) has the molecular formula C31H41N5O and a molecular weight of 499.70 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
PubChem CID20887019
Molecular FormulaC31H41N5O
Molecular Weight499.70 g/mol
Exact Mass499.33
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
SMILESCc1ccc(Cn2c(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C31H41N5O/c1-24-11-13-25(14-12-24)23-36-29-10-6-5-9-28(29)32-31(36)35-17-15-26(16-18-35)30(37)34-21-19-33(20-22-34)27-7-3-2-4-8-27/h5-6,9-14,26-27H,2-4,7-8,15-23H2,1H3
InChIKeyOPWXDNUMSBCWIR-UHFFFAOYSA-N
XLogP5.09
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.70
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone with MolForge

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Related Compounds

[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 46375652
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 46106564
N-[(3-bromophenyl)methyl]-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20887020
ethyl (3R)-1-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 92716355
1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 20886884
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-[(4-methylphenyl)methyl]pyrido[2,3-b]pyrazin-3-one
CID 83276810
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20882871
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
[1-(1-cyclohexylbenzimidazol-2-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42880144
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone (CID 20887019) is (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone is Cc1ccc(Cn2c(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)nc3ccccc32)cc1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone?
The InChIKey is OPWXDNUMSBCWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O/c1-24-11-13-25(14-12-24)23-36-29-10-6-5-9-28(29)32-31(36)35-17-15-26(16-18-35)30(37)34-21-19-33(20-22-34)27-7-3-2-4-8-27/h5-6,9-14,26-27H,2-4,7-8,15-23H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone has a molecular weight of 499.70 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 20887019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).