1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol

C18H20N2O3 — CID 3835157

IUPAC1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccc(Cn2c(C(C)O)nc3ccccc32)cc1OC
InChIInChI=1S/C18H20N2O3/c1-12(21)18-19-14-6-4-5-7-15(14)20(18)11-13-8-9-16(22-2)17(10-13)23-3/h4-10,12,21H,11H2,1-3H3
InChIKeyQSXJTYMXIOKRIH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.16
Rot. Bonds5

About 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol

1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol (PubChem CID 3835157) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
PubChem CID3835157
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccc(Cn2c(C(C)O)nc3ccccc32)cc1OC
InChIInChI=1S/C18H20N2O3/c1-12(21)18-19-14-6-4-5-7-15(14)20(18)11-13-8-9-16(22-2)17(10-13)23-3/h4-10,12,21H,11H2,1-3H3
InChIKeyQSXJTYMXIOKRIH-UHFFFAOYSA-N
XLogP3.16
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 3666189
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 42904099
1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol
CID 46309801
3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009968
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
(1R)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethanol
CID 673173
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16972830

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol (CID 3835157) is 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol is COc1ccc(Cn2c(C(C)O)nc3ccccc32)cc1OC.
What is the InChIKey of 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol?
The InChIKey is QSXJTYMXIOKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(21)18-19-14-6-4-5-7-15(14)20(18)11-13-8-9-16(22-2)17(10-13)23-3/h4-10,12,21H,11H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol?
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol has a molecular weight of 312.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 3835157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).