2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole

C20H24N2O — CID 3344843

IUPAC2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-4-15(2)14-22-19-8-6-5-7-18(19)21-20(22)13-16-9-11-17(23-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3
InChIKeyVRXLHCZYSHBJBV-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.68
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole

2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole (PubChem CID 3344843) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
PubChem CID3344843
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-4-15(2)14-22-19-8-6-5-7-18(19)21-20(22)13-16-9-11-17(23-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3
InChIKeyVRXLHCZYSHBJBV-UHFFFAOYSA-N
XLogP4.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)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-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
CID 975612
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
2-(4-methoxyphenyl)-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993974
2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanethioamide
CID 39151397
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
3-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]propanenitrile
CID 82144754
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
6-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]hexan-1-ol
CID 177375660
3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
CID 17007896
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole (CID 3344843) is 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole is CCC(C)Cn1c(Cc2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole?
The InChIKey is VRXLHCZYSHBJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-15(2)14-22-19-8-6-5-7-18(19)21-20(22)13-16-9-11-17(23-3)12-10-16/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole?
2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole has a molecular weight of 308.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole is sourced from PubChem (CID 3344843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).