5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine

C17H19N3S — CID 79500732

IUPAC5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine
SMILESCSc1ccc(C2(C)CN=C(N)N2c2ccccc2)cc1
InChIInChI=1S/C17H19N3S/c1-17(13-8-10-15(21-2)11-9-13)12-19-16(18)20(17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H2,18,19)
InChIKeyBCOQLIITRHNKBP-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.46
Rot. Bonds3

About 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine

5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine (PubChem CID 79500732) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine
PubChem CID79500732
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine
SMILESCSc1ccc(C2(C)CN=C(N)N2c2ccccc2)cc1
InChIInChI=1S/C17H19N3S/c1-17(13-8-10-15(21-2)11-9-13)12-19-16(18)20(17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H2,18,19)
InChIKeyBCOQLIITRHNKBP-UHFFFAOYSA-N
XLogP3.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine (CID 79500732) is 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine is CSc1ccc(C2(C)CN=C(N)N2c2ccccc2)cc1.
What is the InChIKey of 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine?
The InChIKey is BCOQLIITRHNKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-17(13-8-10-15(21-2)11-9-13)12-19-16(18)20(17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H2,18,19).
What are the key properties of 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine?
5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine has a molecular weight of 297.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine is sourced from PubChem (CID 79500732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).