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

C17H18N2O3 — CID 924719

IUPAC6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O3/c1-10-5-6-12-13(7-10)19-17(18-12)11-8-14(20-2)16(22-4)15(9-11)21-3/h5-9H,1-4H3,(H,18,19)
InChIKeyYRQAJIDNKFIRPY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.56
Rot. Bonds4

About 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole

6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole (PubChem CID 924719) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
PubChem CID924719
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O3/c1-10-5-6-12-13(7-10)19-17(18-12)11-8-14(20-2)16(22-4)15(9-11)21-3/h5-9H,1-4H3,(H,18,19)
InChIKeyYRQAJIDNKFIRPY-UHFFFAOYSA-N
XLogP3.56
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
2-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-1H-benzimidazole
CID 19224673
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224676
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 3343828
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
2-[2-bromo-6-methoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 19224692
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-chloro-6-ethoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenol
CID 136822282
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole (CID 924719) is 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole is COc1cc(-c2nc3ccc(C)cc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The InChIKey is YRQAJIDNKFIRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-5-6-12-13(7-10)19-17(18-12)11-8-14(20-2)16(22-4)15(9-11)21-3/h5-9H,1-4H3,(H,18,19).
What are the key properties of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole has a molecular weight of 298.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 924719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).