1-[(2,5-dimethoxyphenyl)methyl]benzimidazole

C16H16N2O2 — CID 139217669

IUPAC1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(OC)c(Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c1-19-13-7-8-16(20-2)12(9-13)10-18-11-17-14-5-3-4-6-15(14)18/h3-9,11H,10H2,1-2H3
InChIKeyCLMQKLFRWXDLEQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.10
Rot. Bonds4

About 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole

1-[(2,5-dimethoxyphenyl)methyl]benzimidazole (PubChem CID 139217669) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
PubChem CID139217669
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(OC)c(Cn2cnc3ccccc32)c1
InChIInChI=1S/C16H16N2O2/c1-19-13-7-8-16(20-2)12(9-13)10-18-11-17-14-5-3-4-6-15(14)18/h3-9,11H,10H2,1-2H3
InChIKeyCLMQKLFRWXDLEQ-UHFFFAOYSA-N
XLogP3.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875
1-benzyl-5-methoxybenzimidazole
CID 10900689
1-[(2,4-dimethoxyphenyl)methyl]benzimidazol-5-amine
CID 63362760
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111879057
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23967505
1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]benzimidazole
CID 135098174
1-[(2-propoxyphenyl)methyl]benzimidazole
CID 15840178
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 47069219
1-(benzimidazol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84564209
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 92594591
3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole (CID 139217669) is 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole is COc1ccc(OC)c(Cn2cnc3ccccc32)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole?
The InChIKey is CLMQKLFRWXDLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-13-7-8-16(20-2)12(9-13)10-18-11-17-14-5-3-4-6-15(14)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole?
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole has a molecular weight of 268.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 139217669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).