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

C17H18N2O — CID 50950007

IUPAC3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol
SMILESCc1cccc(-n2c(CCCO)nc3ccccc32)c1
InChIInChI=1S/C17H18N2O/c1-13-6-4-7-14(12-13)19-16-9-3-2-8-15(16)18-17(19)10-5-11-20/h2-4,6-9,12,20H,5,10-11H2,1H3
InChIKeyXLSNNSYKTNHLOZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.26
Rot. Bonds4

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

3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 50950007) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol
PubChem CID50950007
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol
SMILESCc1cccc(-n2c(CCCO)nc3ccccc32)c1
InChIInChI=1S/C17H18N2O/c1-13-6-4-7-14(12-13)19-16-9-3-2-8-15(16)18-17(19)10-5-11-20/h2-4,6-9,12,20H,5,10-11H2,1H3
InChIKeyXLSNNSYKTNHLOZ-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159732
2-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159986
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
5-[2-(3-hydroxypropyl)benzimidazol-1-yl]-1H-pyridin-2-one
CID 50975788
1-phenyl-2-tridecylbenzimidazole
CID 24821367
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
1-(3,5-dimethylphenoxy)-3-[2-(3-hydroxypropyl)benzimidazol-1-yl]propan-2-ol
CID 47557039
1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
CID 4565636
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 17437395
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol (CID 50950007) is 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol is Cc1cccc(-n2c(CCCO)nc3ccccc32)c1.
What is the InChIKey of 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is XLSNNSYKTNHLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-6-4-7-14(12-13)19-16-9-3-2-8-15(16)18-17(19)10-5-11-20/h2-4,6-9,12,20H,5,10-11H2,1H3.
What are the key properties of 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol?
3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylphenyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 50950007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).