2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone

C21H30N4O — CID 46375593

IUPAC2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nc2ccccc21
InChIInChI=1S/C21H30N4O/c1-2-25-19-11-7-6-10-18(19)22-21(25)24-14-12-23(13-15-24)20(26)16-17-8-4-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3
InChIKeyJCNCOVQHNGERHR-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.68
Rot. Bonds4

About 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 46375593) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID46375593
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nc2ccccc21
InChIInChI=1S/C21H30N4O/c1-2-25-19-11-7-6-10-18(19)22-21(25)24-14-12-23(13-15-24)20(26)16-17-8-4-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3
InChIKeyJCNCOVQHNGERHR-UHFFFAOYSA-N
XLogP3.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.68
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
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 46375652
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 46375439
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 861065
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
ethyl (3S)-3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879177
N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 46106517
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
CID 16669306

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone (CID 46375593) is 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone is CCn1c(N2CCN(C(=O)CC3CCCCC3)CC2)nc2ccccc21.
What is the InChIKey of 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is JCNCOVQHNGERHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-2-25-19-11-7-6-10-18(19)22-21(25)24-14-12-23(13-15-24)20(26)16-17-8-4-3-5-9-17/h6-7,10-11,17H,2-5,8-9,12-16H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 354.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46375593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).