1-(benzimidazol-1-yl)propan-2-ol

C10H12N2O — CID 22504258

IUPAC1-(benzimidazol-1-yl)propan-2-ol
SMILESCC(O)Cn1cnc2ccccc21
InChIInChI=1S/C10H12N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2-5,7-8,13H,6H2,1H3
InChIKeyCRWGIKGRSPZWLW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.42
Rot. Bonds2

About 1-(benzimidazol-1-yl)propan-2-ol

1-(benzimidazol-1-yl)propan-2-ol (PubChem CID 22504258) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)propan-2-ol
PubChem CID22504258
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(benzimidazol-1-yl)propan-2-ol
SMILESCC(O)Cn1cnc2ccccc21
InChIInChI=1S/C10H12N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2-5,7-8,13H,6H2,1H3
InChIKeyCRWGIKGRSPZWLW-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
1-(benzimidazol-1-yl)-3-methylbut-3-en-2-ol
CID 105110467
(3S,4R)-5-(benzimidazol-1-yl)-4-hydroxy-3-methylpentan-2-one
CID 166448813
2-(benzimidazol-1-yl)ethyl-hydroxy-dimethylazanium
CID 123566013
1-(benzimidazol-1-yl)decan-2-ol
CID 105085738
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
2-(benzimidazol-1-yl)-1-(3-ethylphenyl)ethanol
CID 105117176
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)propan-2-ol (CID 22504258) is 1-(benzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)propan-2-ol is CC(O)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)propan-2-ol?
The InChIKey is CRWGIKGRSPZWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(13)6-12-7-11-9-4-2-3-5-10(9)12/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)propan-2-ol?
1-(benzimidazol-1-yl)propan-2-ol has a molecular weight of 176.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 22504258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).