1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole

C19H26N2O — CID 5298183

IUPAC1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
SMILESc1ccc2c(c1)nc(C1CCCO1)n2CCC1CCCCC1
InChIInChI=1S/C19H26N2O/c1-2-7-15(8-3-1)12-13-21-17-10-5-4-9-16(17)20-19(21)18-11-6-14-22-18/h4-5,9-10,15,18H,1-3,6-8,11-14H2
InChIKeyOHLPZDPBKFCCAE-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.86
Rot. Bonds4

About 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole

1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole (PubChem CID 5298183) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
PubChem CID5298183
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
SMILESc1ccc2c(c1)nc(C1CCCO1)n2CCC1CCCCC1
InChIInChI=1S/C19H26N2O/c1-2-7-15(8-3-1)12-13-21-17-10-5-4-9-16(17)20-19(21)18-11-6-14-22-18/h4-5,9-10,15,18H,1-3,6-8,11-14H2
InChIKeyOHLPZDPBKFCCAE-UHFFFAOYSA-N
XLogP4.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole?
The IUPAC name of 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole (CID 5298183) is 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole.
What is the SMILES notation for 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole?
The canonical SMILES for 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole is c1ccc2c(c1)nc(C1CCCO1)n2CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole?
The InChIKey is OHLPZDPBKFCCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-7-15(8-3-1)12-13-21-17-10-5-4-9-16(17)20-19(21)18-11-6-14-22-18/h4-5,9-10,15,18H,1-3,6-8,11-14H2.
What are the key properties of 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole?
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole has a molecular weight of 298.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole is sourced from PubChem (CID 5298183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).