6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole

C18H19ClN2O — CID 46310221

IUPAC6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
SMILESClc1ccc2nc(C3CCCCC3)n(Cc3ccco3)c2c1
InChIInChI=1S/C18H19ClN2O/c19-14-8-9-16-17(11-14)21(12-15-7-4-10-22-15)18(20-16)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12H2
InChIKeyXPIPLQFZEXCJKI-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.38
Rot. Bonds3

About 6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole

6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole (PubChem CID 46310221) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
PubChem CID46310221
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole
SMILESClc1ccc2nc(C3CCCCC3)n(Cc3ccco3)c2c1
InChIInChI=1S/C18H19ClN2O/c19-14-8-9-16-17(11-14)21(12-15-7-4-10-22-15)18(20-16)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12H2
InChIKeyXPIPLQFZEXCJKI-UHFFFAOYSA-N
XLogP5.38
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.82
LogP ≤ 55.38
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-(furan-2-ylmethyl)benzimidazole?
The IUPAC name of 6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole (CID 46310221) is 6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole is Clc1ccc2nc(C3CCCCC3)n(Cc3ccco3)c2c1.
What is the InChIKey of 6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole?
The InChIKey is XPIPLQFZEXCJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-14-8-9-16-17(11-14)21(12-15-7-4-10-22-15)18(20-16)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6,12H2.
What are the key properties of 6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole?
6-chloro-2-cyclohexyl-1-(furan-2-ylmethyl)benzimidazole has a molecular weight of 314.82 g/mol, XLogP of 5.38, 3 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-(furan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 46310221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).