2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol

C15H19ClN2O — CID 46308180

IUPAC2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
SMILESOCCn1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2O/c16-12-6-7-13-14(10-12)18(8-9-19)15(17-13)11-4-2-1-3-5-11/h6-7,10-11,19H,1-5,8-9H2
InChIKeyDUXGTSMFCXAOFX-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.73
Rot. Bonds3

About 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol

2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol (PubChem CID 46308180) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
PubChem CID46308180
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol
SMILESOCCn1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2O/c16-12-6-7-13-14(10-12)18(8-9-19)15(17-13)11-4-2-1-3-5-11/h6-7,10-11,19H,1-5,8-9H2
InChIKeyDUXGTSMFCXAOFX-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol?
The IUPAC name of 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol (CID 46308180) is 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol?
The canonical SMILES for 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol is OCCn1c(C2CCCCC2)nc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol?
The InChIKey is DUXGTSMFCXAOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-12-6-7-13-14(10-12)18(8-9-19)15(17-13)11-4-2-1-3-5-11/h6-7,10-11,19H,1-5,8-9H2.
What are the key properties of 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol?
2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol has a molecular weight of 278.78 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclohexylbenzimidazol-1-yl)ethanol is sourced from PubChem (CID 46308180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).