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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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).