2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine

C18H21N3O — CID 82067936

IUPAC2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine
SMILESCOc1cccc(-c2nc3c(N)cccc3n2CC(C)C)c1
InChIInChI=1S/C18H21N3O/c1-12(2)11-21-16-9-5-8-15(19)17(16)20-18(21)13-6-4-7-14(10-13)22-3/h4-10,12H,11,19H2,1-3H3
InChIKeyQDEWREFUEKXXRD-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.95
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine

2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine (PubChem CID 82067936) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine
PubChem CID82067936
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine
SMILESCOc1cccc(-c2nc3c(N)cccc3n2CC(C)C)c1
InChIInChI=1S/C18H21N3O/c1-12(2)11-21-16-9-5-8-15(19)17(16)20-18(21)13-6-4-7-14(10-13)22-3/h4-10,12H,11,19H2,1-3H3
InChIKeyQDEWREFUEKXXRD-UHFFFAOYSA-N
XLogP3.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine 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-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
CID 82067963
2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 17001797
S-[2-[2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-5-yl]prop-2-enyl] N-methylcarbamothioate
CID 143804868
2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-4-amine
CID 82067974
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
CID 82068333
1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine
CID 82068147
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756511
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001717
1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one
CID 159499235

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine (CID 82067936) is 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine is COc1cccc(-c2nc3c(N)cccc3n2CC(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine?
The InChIKey is QDEWREFUEKXXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12(2)11-21-16-9-5-8-15(19)17(16)20-18(21)13-6-4-7-14(10-13)22-3/h4-10,12H,11,19H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine?
2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine is sourced from PubChem (CID 82067936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).