1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole

C17H18N2O3 — CID 888632

IUPAC1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-c2nc3ccccc3n2C)cc(OC)c1OC
InChIInChI=1S/C17H18N2O3/c1-19-13-8-6-5-7-12(13)18-17(19)11-9-14(20-2)16(22-4)15(10-11)21-3/h5-10H,1-4H3
InChIKeyDHXXUPQZTVIBEK-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.27
Rot. Bonds4

About 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole

1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole (PubChem CID 888632) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
PubChem CID888632
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-c2nc3ccccc3n2C)cc(OC)c1OC
InChIInChI=1S/C17H18N2O3/c1-19-13-8-6-5-7-12(13)18-17(19)11-9-14(20-2)16(22-4)15(10-11)21-3/h5-10H,1-4H3
InChIKeyDHXXUPQZTVIBEK-UHFFFAOYSA-N
XLogP3.27
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
1,8-dimethoxy-3-(1-methylbenzimidazol-2-yl)anthracene-9,10-dione
CID 18996974
1-[(2-iodophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353976
1-[4-(2-chlorophenoxy)butyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 17001619
1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 20930588
3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82481745
2-methoxy-8-methyl-6-(1-methylbenzimidazol-2-yl)quinoline
CID 19867726
1-[4-(2-propan-2-ylphenoxy)butyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 17001614
[4-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]phenyl]boronic acid
CID 102488637
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride
CID 19353933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The IUPAC name of 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole (CID 888632) is 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The canonical SMILES for 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole is COc1cc(-c2nc3ccccc3n2C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The InChIKey is DHXXUPQZTVIBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19-13-8-6-5-7-12(13)18-17(19)11-9-14(20-2)16(22-4)15(10-11)21-3/h5-10H,1-4H3.
What are the key properties of 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole?
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole has a molecular weight of 298.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole is sourced from PubChem (CID 888632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).