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

C11H14N2O — CID 53276318

IUPAC1-(benzimidazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1cnc2ccccc21
InChIInChI=1S/C11H14N2O/c1-2-9(14)7-13-8-12-10-5-3-4-6-11(10)13/h3-6,8-9,14H,2,7H2,1H3
InChIKeySPEIOHRZANKSAM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.81
Rot. Bonds3

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

1-(benzimidazol-1-yl)butan-2-ol (PubChem CID 53276318) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)butan-2-ol
PubChem CID53276318
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(benzimidazol-1-yl)butan-2-ol
SMILESCCC(O)Cn1cnc2ccccc21
InChIInChI=1S/C11H14N2O/c1-2-9(14)7-13-8-12-10-5-3-4-6-11(10)13/h3-6,8-9,14H,2,7H2,1H3
InChIKeySPEIOHRZANKSAM-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
1-(benzimidazol-1-yl)decan-2-ol
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1-(benzimidazol-1-yl)-3-methylbut-3-en-2-ol
CID 105110467
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
1-(benzimidazol-1-yl)-4-ethylhexan-2-amine
CID 105176644
1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 583226
1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 57210584
(2R)-1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 1120288
(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 981301
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)butan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)butan-2-ol (CID 53276318) is 1-(benzimidazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)butan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)butan-2-ol is CCC(O)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)butan-2-ol?
The InChIKey is SPEIOHRZANKSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-9(14)7-13-8-12-10-5-3-4-6-11(10)13/h3-6,8-9,14H,2,7H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)butan-2-ol?
1-(benzimidazol-1-yl)butan-2-ol has a molecular weight of 190.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 53276318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).