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

C17H18N2O — CID 146582271

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
SMILESCOc1c(C)cc(-c2nc3ccc(C)cc3[nH]2)cc1C
InChIInChI=1S/C17H18N2O/c1-10-5-6-14-15(7-10)19-17(18-14)13-8-11(2)16(20-4)12(3)9-13/h5-9H,1-4H3,(H,18,19)
InChIKeySZAGNPUJIOGSRE-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.16
Rot. Bonds2

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

2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole (PubChem CID 146582271) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
PubChem CID146582271
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
SMILESCOc1c(C)cc(-c2nc3ccc(C)cc3[nH]2)cc1C
InChIInChI=1S/C17H18N2O/c1-10-5-6-14-15(7-10)19-17(18-14)13-8-11(2)16(20-4)12(3)9-13/h5-9H,1-4H3,(H,18,19)
InChIKeySZAGNPUJIOGSRE-UHFFFAOYSA-N
XLogP4.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-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

6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazole;tris(3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole);3-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-phenyl-1,2,4-oxadiazole
CID 157457529
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
2-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-1H-benzimidazole
CID 19224673
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
2-methyl-2-[2-methyl-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propanoic acid
CID 162371088
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole (CID 146582271) is 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole is COc1c(C)cc(-c2nc3ccc(C)cc3[nH]2)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole?
The InChIKey is SZAGNPUJIOGSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-10-5-6-14-15(7-10)19-17(18-14)13-8-11(2)16(20-4)12(3)9-13/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole?
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 146582271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).