3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one

C15H18N2O — CID 82084909

IUPAC3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCC1=CCCCC1
InChIInChI=1S/C15H18N2O/c18-15-16-13-8-4-5-9-14(13)17(15)11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,16,18)
InChIKeyYGAJCLDOKVCXBI-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.22
Rot. Bonds3

About 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one

3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one (PubChem CID 82084909) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one
PubChem CID82084909
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCC1=CCCCC1
InChIInChI=1S/C15H18N2O/c18-15-16-13-8-4-5-9-14(13)17(15)11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,16,18)
InChIKeyYGAJCLDOKVCXBI-UHFFFAOYSA-N
XLogP3.22
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazole-2-thione
CID 82089640
3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 807484
N-[2-(cyclohexen-1-yl)ethyl]-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4114746
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 17417222
3-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1H-benzimidazole-2-thione
CID 107850907
1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde
CID 71368514
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937766
4-chloro-3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazole-2-thione
CID 107850927
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
CID 658621
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrimidine-2,4-dione
CID 27506734

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one (CID 82084909) is 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one?
The InChIKey is YGAJCLDOKVCXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15-16-13-8-4-5-9-14(13)17(15)11-10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,16,18).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one?
3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one has a molecular weight of 242.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 82084909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).