3-(2-cyclohexylethyl)-1H-benzimidazol-2-one

C15H20N2O — CID 712184

IUPAC3-(2-cyclohexylethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C15H20N2O/c18-15-16-13-8-4-5-9-14(13)17(15)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,18)
InChIKeyPEQBWSMHCRJRLQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.30
Rot. Bonds3

About 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one

3-(2-cyclohexylethyl)-1H-benzimidazol-2-one (PubChem CID 712184) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-1H-benzimidazol-2-one
PubChem CID712184
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(2-cyclohexylethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C15H20N2O/c18-15-16-13-8-4-5-9-14(13)17(15)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,18)
InChIKeyPEQBWSMHCRJRLQ-UHFFFAOYSA-N
XLogP3.30
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one (CID 712184) is 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one?
The InChIKey is PEQBWSMHCRJRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15-16-13-8-4-5-9-14(13)17(15)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,16,18).
What are the key properties of 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one?
3-(2-cyclohexylethyl)-1H-benzimidazol-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 712184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).