1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole

C18H20N2O — CID 830207

IUPAC1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
SMILESCOc1ccccc1Cn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-13(2)18-19-15-9-5-6-10-16(15)20(18)12-14-8-4-7-11-17(14)21-3/h4-11,13H,12H2,1-3H3
InChIKeyFNISWEOBBJOVDS-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.22
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole

1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole (PubChem CID 830207) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
PubChem CID830207
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
SMILESCOc1ccccc1Cn1c(C(C)C)nc2ccccc21
InChIInChI=1S/C18H20N2O/c1-13(2)18-19-15-9-5-6-10-16(15)20(18)12-14-8-4-7-11-17(14)21-3/h4-11,13H,12H2,1-3H3
InChIKeyFNISWEOBBJOVDS-UHFFFAOYSA-N
XLogP4.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole 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 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole (CID 830207) is 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole is COc1ccccc1Cn1c(C(C)C)nc2ccccc21.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole?
The InChIKey is FNISWEOBBJOVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)18-19-15-9-5-6-10-16(15)20(18)12-14-8-4-7-11-17(14)21-3/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole?
1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 830207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).