1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol

C13H18N2O2 — CID 79753545

IUPAC1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCCOCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C13H18N2O2/c1-3-17-9-10(16)8-13-14-11-6-4-5-7-12(11)15(13)2/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyPQJVAWMNNPCNON-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.51
Rot. Bonds5

About 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol

1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol (PubChem CID 79753545) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
PubChem CID79753545
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCCOCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C13H18N2O2/c1-3-17-9-10(16)8-13-14-11-6-4-5-7-12(11)15(13)2/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyPQJVAWMNNPCNON-UHFFFAOYSA-N
XLogP1.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol (CID 79753545) is 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol is CCOCC(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is PQJVAWMNNPCNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-17-9-10(16)8-13-14-11-6-4-5-7-12(11)15(13)2/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 234.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79753545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).