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

C15H22N2O — CID 2945571

IUPAC3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
SMILESCCC(C)Cn1c(CCCO)nc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-12(2)11-17-14-8-5-4-7-13(14)16-15(17)9-6-10-18/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3
InChIKeyNCXQKMWGWRMQPP-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.01
Rot. Bonds6

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

3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 2945571) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
PubChem CID2945571
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
SMILESCCC(C)Cn1c(CCCO)nc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-12(2)11-17-14-8-5-4-7-13(14)16-15(17)9-6-10-18/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3
InChIKeyNCXQKMWGWRMQPP-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
CID 975612
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16984255
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985028
propan-2-yl 2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetate
CID 16995553
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16982511
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol (CID 2945571) is 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol is CCC(C)Cn1c(CCCO)nc2ccccc21.
What is the InChIKey of 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is NCXQKMWGWRMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12(2)11-17-14-8-5-4-7-13(14)16-15(17)9-6-10-18/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3.
What are the key properties of 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol?
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 2945571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).