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

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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).