1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol

C13H18N2O2 — CID 103454668

IUPAC1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C13H18N2O2/c1-3-11(16)12(17)8-13-14-9-6-4-5-7-10(9)15(13)2/h4-7,11-12,16-17H,3,8H2,1-2H3
InChIKeyWZYYWZFJXIERBZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.25
Rot. Bonds4

About 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol

1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol (PubChem CID 103454668) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
PubChem CID103454668
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C13H18N2O2/c1-3-11(16)12(17)8-13-14-9-6-4-5-7-10(9)15(13)2/h4-7,11-12,16-17H,3,8H2,1-2H3
InChIKeyWZYYWZFJXIERBZ-UHFFFAOYSA-N
XLogP1.25
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 112575265
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol (CID 103454668) is 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol is CCC(O)C(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol?
The InChIKey is WZYYWZFJXIERBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-11(16)12(17)8-13-14-9-6-4-5-7-10(9)15(13)2/h4-7,11-12,16-17H,3,8H2,1-2H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol?
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol has a molecular weight of 234.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol is sourced from PubChem (CID 103454668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).