3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol

C16H22N2O2 — CID 82334844

IUPAC3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
SMILESC=C(C)Cn1c(CCCO)nc2cc(OCC)ccc21
InChIInChI=1S/C16H22N2O2/c1-4-20-13-7-8-15-14(10-13)17-16(6-5-9-19)18(15)11-12(2)3/h7-8,10,19H,2,4-6,9,11H2,1,3H3
InChIKeyNPFXNQDSVMOAOE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.94
Rot. Bonds7

About 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol

3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 82334844) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
PubChem CID82334844
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol
SMILESC=C(C)Cn1c(CCCO)nc2cc(OCC)ccc21
InChIInChI=1S/C16H22N2O2/c1-4-20-13-7-8-15-14(10-13)17-16(6-5-9-19)18(15)11-12(2)3/h7-8,10,19H,2,4-6,9,11H2,1,3H3
InChIKeyNPFXNQDSVMOAOE-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-ethoxy-2-(3-hydroxypropyl)benzimidazol-1-yl]butan-2-one
CID 82334847
3-[5-ethoxy-1-(3-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 82334841
3-(5-ethoxy-1-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334838
1-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethanamine
CID 82334728
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
4-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)butanoic acid
CID 82334652
4-[5-ethoxy-2-(sulfanylmethyl)benzimidazol-1-yl]butan-2-one
CID 82334968
2-(chloromethyl)-1-(2-methylprop-2-enyl)-5-propan-2-yloxybenzimidazole
CID 82335383
2-(5-ethoxy-1-prop-2-enylbenzimidazol-2-yl)-N-methylethanamine
CID 82334793
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol (CID 82334844) is 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol is C=C(C)Cn1c(CCCO)nc2cc(OCC)ccc21.
What is the InChIKey of 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is NPFXNQDSVMOAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-20-13-7-8-15-14(10-13)17-16(6-5-9-19)18(15)11-12(2)3/h7-8,10,19H,2,4-6,9,11H2,1,3H3.
What are the key properties of 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol?
3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethoxy-1-(2-methylprop-2-enyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 82334844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).