[1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol

C17H22N2O — CID 134948990

IUPAC[1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1C/C=C/C1CCCCC1
InChIInChI=1S/C17H22N2O/c20-13-17-18-15-10-4-5-11-16(15)19(17)12-6-9-14-7-2-1-3-8-14/h4-6,9-11,14,20H,1-3,7-8,12-13H2/b9-6+
InChIKeyUMKCCBUSBOLTJT-RMKNXTFCSA-N
MW270.38 g/mol
LogP3.67
Rot. Bonds4

About [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol

[1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol (PubChem CID 134948990) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol
PubChem CID134948990
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name[1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1C/C=C/C1CCCCC1
InChIInChI=1S/C17H22N2O/c20-13-17-18-15-10-4-5-11-16(15)19(17)12-6-9-14-7-2-1-3-8-14/h4-6,9-11,14,20H,1-3,7-8,12-13H2/b9-6+
InChIKeyUMKCCBUSBOLTJT-RMKNXTFCSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
CID 962459
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 110899546
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
CID 71649897
[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol
CID 112787651
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110885680
(E)-3-cyclohexyl-1-(1-methylbenzimidazol-2-yl)prop-2-en-1-one
CID 23643238
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
1-(4-chlorobut-2-enyl)-2-ethylbenzimidazole
CID 77051544
2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
CID 720880
benzyl 3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 71649890
benzyl (3R)-3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 97169469

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol (CID 134948990) is [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1C/C=C/C1CCCCC1.
What is the InChIKey of [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol?
The InChIKey is UMKCCBUSBOLTJT-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H22N2O/c20-13-17-18-15-10-4-5-11-16(15)19(17)12-6-9-14-7-2-1-3-8-14/h4-6,9-11,14,20H,1-3,7-8,12-13H2/b9-6+.
What are the key properties of [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol?
[1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol has a molecular weight of 270.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 134948990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).