[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone

C25H30N4O — CID 46375652

IUPAC[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c30-24(21-11-5-2-6-12-21)27-15-17-28(18-16-27)25-26-22-13-7-8-14-23(22)29(25)19-20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2
InChIKeyQAZKVCMTHKMOMG-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.31
Rot. Bonds4

About [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone

[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone (PubChem CID 46375652) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
PubChem CID46375652
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C25H30N4O/c30-24(21-11-5-2-6-12-21)27-15-17-28(18-16-27)25-26-22-13-7-8-14-23(22)29(25)19-20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2
InChIKeyQAZKVCMTHKMOMG-UHFFFAOYSA-N
XLogP4.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
CID 46375584
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20887019
1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 20886884
4-benzyl-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021545
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 44579866
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 46375672
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]-phenylmethanone;hydrate
CID 110168643
2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 46375593
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20882871

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone (CID 46375652) is [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is QAZKVCMTHKMOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c30-24(21-11-5-2-6-12-21)27-15-17-28(18-16-27)25-26-22-13-7-8-14-23(22)29(25)19-20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2.
What are the key properties of [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone?
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 402.54 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 46375652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).