3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol

C19H22N2O3 — CID 82149581

IUPAC3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
SMILESCOc1cc2nc(-c3ccc(C)cc3)n(CCCO)c2cc1OC
InChIInChI=1S/C19H22N2O3/c1-13-5-7-14(8-6-13)19-20-15-11-17(23-2)18(24-3)12-16(15)21(19)9-4-10-22/h5-8,11-12,22H,4,9-10H2,1-3H3
InChIKeyXUQYIINDDORYBO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.41
Rot. Bonds6

About 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol

3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 82149581) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
PubChem CID82149581
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
SMILESCOc1cc2nc(-c3ccc(C)cc3)n(CCCO)c2cc1OC
InChIInChI=1S/C19H22N2O3/c1-13-5-7-14(8-6-13)19-20-15-11-17(23-2)18(24-3)12-16(15)21(19)9-4-10-22/h5-8,11-12,22H,4,9-10H2,1-3H3
InChIKeyXUQYIINDDORYBO-UHFFFAOYSA-N
XLogP3.41
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 82149576
2-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]ethanethioamide
CID 39158035
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 94756206
2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
CID 82149367
4-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]butanenitrile
CID 82150464
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971
2-[2-(4-methoxyphenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanol
CID 82149438
3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 82150963
3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine
CID 94748494
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanethioamide
CID 82149852

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol (CID 82149581) is 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol is COc1cc2nc(-c3ccc(C)cc3)n(CCCO)c2cc1OC.
What is the InChIKey of 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is XUQYIINDDORYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-5-7-14(8-6-13)19-20-15-11-17(23-2)18(24-3)12-16(15)21(19)9-4-10-22/h5-8,11-12,22H,4,9-10H2,1-3H3.
What are the key properties of 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol?
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 326.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82149581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).