1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol

C16H24N2O — CID 17027807

IUPAC1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
SMILESCCCC(O)c1nc2ccccc2n1CCC(C)C
InChIInChI=1S/C16H24N2O/c1-4-7-15(19)16-17-13-8-5-6-9-14(13)18(16)11-10-12(2)3/h5-6,8-9,12,15,19H,4,7,10-11H2,1-3H3
InChIKeyJQMOLKRXCBXQDT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.92
Rot. Bonds6

About 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol

1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol (PubChem CID 17027807) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
PubChem CID17027807
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
SMILESCCCC(O)c1nc2ccccc2n1CCC(C)C
InChIInChI=1S/C16H24N2O/c1-4-7-15(19)16-17-13-8-5-6-9-14(13)18(16)11-10-12(2)3/h5-6,8-9,12,15,19H,4,7,10-11H2,1-3H3
InChIKeyJQMOLKRXCBXQDT-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
(1S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]butan-1-ol
CID 25405248
(1R)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735925
(1S)-1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 92735926
1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]butan-1-ol
CID 17027818
(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]propan-1-ol
CID 40699134
1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 17027791
1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 50745340
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol?
The IUPAC name of 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol (CID 17027807) is 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol.
What is the SMILES notation for 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol?
The canonical SMILES for 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol is CCCC(O)c1nc2ccccc2n1CCC(C)C.
What is the InChIKey of 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol?
The InChIKey is JQMOLKRXCBXQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-7-15(19)16-17-13-8-5-6-9-14(13)18(16)11-10-12(2)3/h5-6,8-9,12,15,19H,4,7,10-11H2,1-3H3.
What are the key properties of 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol?
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol is sourced from PubChem (CID 17027807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).