N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine

C20H23N3O — CID 3582583

IUPACN-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine
SMILESCCc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1
InChIInChI=1S/C20H23N3O/c1-4-15-8-10-16(11-9-15)13-21-20-22-14-19(23(20)2)17-6-5-7-18(12-17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyLJLFVKAMTHSBKV-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.27
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine

N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine (PubChem CID 3582583) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine
PubChem CID3582583
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine
SMILESCCc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1
InChIInChI=1S/C20H23N3O/c1-4-15-8-10-16(11-9-15)13-21-20-22-14-19(23(20)2)17-6-5-7-18(12-17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyLJLFVKAMTHSBKV-UHFFFAOYSA-N
XLogP4.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine 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 N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine (CID 3582583) is N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine is CCc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine?
The InChIKey is LJLFVKAMTHSBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-15-8-10-16(11-9-15)13-21-20-22-14-19(23(20)2)17-6-5-7-18(12-17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine?
N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine has a molecular weight of 321.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-5-(3-methoxyphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 3582583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).