2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole

C16H18N2O — CID 759319

IUPAC2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole
SMILESCOc1ccc(C2N(C)c3ccccc3N2C)cc1
InChIInChI=1S/C16H18N2O/c1-17-14-6-4-5-7-15(14)18(2)16(17)12-8-10-13(19-3)11-9-12/h4-11,16H,1-3H3
InChIKeyRLHOTVBWJJMTKC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.28
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole

2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole (PubChem CID 759319) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole
PubChem CID759319
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole
SMILESCOc1ccc(C2N(C)c3ccccc3N2C)cc1
InChIInChI=1S/C16H18N2O/c1-17-14-6-4-5-7-15(14)18(2)16(17)12-8-10-13(19-3)11-9-12/h4-11,16H,1-3H3
InChIKeyRLHOTVBWJJMTKC-UHFFFAOYSA-N
XLogP3.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole (CID 759319) is 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole is COc1ccc(C2N(C)c3ccccc3N2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole?
The InChIKey is RLHOTVBWJJMTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-14-6-4-5-7-15(14)18(2)16(17)12-8-10-13(19-3)11-9-12/h4-11,16H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole?
2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole has a molecular weight of 254.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-dimethyl-2H-benzimidazole is sourced from PubChem (CID 759319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).