6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole

C16H21ClN2O — CID 46309125

IUPAC6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2O/c1-20-10-9-19-15-11-13(17)7-8-14(15)18-16(19)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyQJWDHODIGYNFOR-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.38
Rot. Bonds4

About 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole

6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole (PubChem CID 46309125) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
PubChem CID46309125
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole
SMILESCOCCn1c(C2CCCCC2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H21ClN2O/c1-20-10-9-19-15-11-13(17)7-8-14(15)18-16(19)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyQJWDHODIGYNFOR-UHFFFAOYSA-N
XLogP4.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole?
The IUPAC name of 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole (CID 46309125) is 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole is COCCn1c(C2CCCCC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole?
The InChIKey is QJWDHODIGYNFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-20-10-9-19-15-11-13(17)7-8-14(15)18-16(19)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole?
6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole has a molecular weight of 292.81 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclohexyl-1-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 46309125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).