1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine

C24H23N3S — CID 3689162

IUPAC1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine
SMILESCSc1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1
InChIInChI=1S/C24H23N3S/c1-27-23(21-12-10-20(11-13-21)19-6-4-3-5-7-19)17-26-24(27)25-16-18-8-14-22(28-2)15-9-18/h3-15,17H,16H2,1-2H3,(H,25,26)
InChIKeyQRTYGAGDDICTNW-UHFFFAOYSA-N
MW385.54 g/mol
LogP6.09
Rot. Bonds6

About 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine

1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine (PubChem CID 3689162) has the molecular formula C24H23N3S and a molecular weight of 385.54 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine
PubChem CID3689162
Molecular FormulaC24H23N3S
Molecular Weight385.54 g/mol
Exact Mass385.16
IUPAC Name1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine
SMILESCSc1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1
InChIInChI=1S/C24H23N3S/c1-27-23(21-12-10-20(11-13-21)19-6-4-3-5-7-19)17-26-24(27)25-16-18-8-14-22(28-2)15-9-18/h3-15,17H,16H2,1-2H3,(H,25,26)
InChIKeyQRTYGAGDDICTNW-UHFFFAOYSA-N
XLogP6.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-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 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine (CID 3689162) is 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine is CSc1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine?
The InChIKey is QRTYGAGDDICTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3S/c1-27-23(21-12-10-20(11-13-21)19-6-4-3-5-7-19)17-26-24(27)25-16-18-8-14-22(28-2)15-9-18/h3-15,17H,16H2,1-2H3,(H,25,26).
What are the key properties of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine?
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine has a molecular weight of 385.54 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-(4-phenylphenyl)imidazol-2-amine is sourced from PubChem (CID 3689162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).