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

C20H28N4O — CID 46375584

IUPACcyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
SMILESCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nc2ccccc21
InChIInChI=1S/C20H28N4O/c1-2-24-18-11-7-6-10-17(18)21-20(24)23-14-12-22(13-15-23)19(25)16-8-4-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3
InChIKeyGSTQVBKFXFRBSU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.29
Rot. Bonds3

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

cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 46375584) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID46375584
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Namecyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone
SMILESCCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nc2ccccc21
InChIInChI=1S/C20H28N4O/c1-2-24-18-11-7-6-10-17(18)21-20(24)23-14-12-22(13-15-23)19(25)16-8-4-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3
InChIKeyGSTQVBKFXFRBSU-UHFFFAOYSA-N
XLogP3.29
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 46375652
2-cyclohexyl-1-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 46375593
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
(4-cyclohexylpiperazin-1-yl)-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanone
CID 20887019
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
4-(1-ethylbenzimidazol-2-yl)-N-methylpiperazine-1-carbothioamide
CID 1462205
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
ethyl 4-[1-(1-cyclohexylbenzimidazol-2-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 46106564
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
4-(1-ethylbenzimidazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carbothioamide
CID 1462230

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone (CID 46375584) is cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone is CCn1c(N2CCN(C(=O)C3CCCCC3)CC2)nc2ccccc21.
What is the InChIKey of cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is GSTQVBKFXFRBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-24-18-11-7-6-10-17(18)21-20(24)23-14-12-22(13-15-23)19(25)16-8-4-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3.
What are the key properties of cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46375584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).