[1-(3-phenoxypropyl)benzimidazol-2-yl]methanol

C17H18N2O2 — CID 3150939

IUPAC[1-(3-phenoxypropyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C17H18N2O2/c20-13-17-18-15-9-4-5-10-16(15)19(17)11-6-12-21-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2
InChIKeyGDGAVKMCOIIVSN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.00
Rot. Bonds6

About [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol

[1-(3-phenoxypropyl)benzimidazol-2-yl]methanol (PubChem CID 3150939) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-phenoxypropyl)benzimidazol-2-yl]methanol
PubChem CID3150939
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[1-(3-phenoxypropyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C17H18N2O2/c20-13-17-18-15-9-4-5-10-16(15)19(17)11-6-12-21-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2
InChIKeyGDGAVKMCOIIVSN-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol?
The IUPAC name of [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol (CID 3150939) is [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol?
The InChIKey is GDGAVKMCOIIVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-13-17-18-15-9-4-5-10-16(15)19(17)11-6-12-21-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2.
What are the key properties of [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol?
[1-(3-phenoxypropyl)benzimidazol-2-yl]methanol has a molecular weight of 282.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenoxypropyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 3150939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).