1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol

C16H24N2O3 — CID 79756098

IUPAC1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
SMILESCCOC(OCC)C(O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C16H24N2O3/c1-4-18-13-10-8-7-9-12(13)17-15(18)11-14(19)16(20-5-2)21-6-3/h7-10,14,16,19H,4-6,11H2,1-3H3
InChIKeyZTAILWFNQHIRJD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.36
Rot. Bonds8

About 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol

1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79756098) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
PubChem CID79756098
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol
SMILESCCOC(OCC)C(O)Cc1nc2ccccc2n1CC
InChIInChI=1S/C16H24N2O3/c1-4-18-13-10-8-7-9-12(13)17-15(18)11-14(19)16(20-5-2)21-6-3/h7-10,14,16,19H,4-6,11H2,1-3H3
InChIKeyZTAILWFNQHIRJD-UHFFFAOYSA-N
XLogP2.36
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
3-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypentan-2-ol
CID 116752874
1-(1-ethylbenzimidazol-2-yl)-4-methoxybutan-2-ol
CID 79754353
[1-(1-ethylbenzimidazol-2-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105321101
1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663
1-(1-ethylbenzimidazol-2-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027615
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105164929
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol (CID 79756098) is 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol is CCOC(OCC)C(O)Cc1nc2ccccc2n1CC.
What is the InChIKey of 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is ZTAILWFNQHIRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18-13-10-8-7-9-12(13)17-15(18)11-14(19)16(20-5-2)21-6-3/h7-10,14,16,19H,4-6,11H2,1-3H3.
What are the key properties of 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol?
1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 292.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-(1-ethylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79756098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).