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

C18H19N3S — CID 3398642

IUPAC1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine
SMILESCSc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1
InChIInChI=1S/C18H19N3S/c1-21-17(15-6-4-3-5-7-15)13-20-18(21)19-12-14-8-10-16(22-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeySERKUURELHQLBA-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.42
Rot. Bonds5

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

1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine (PubChem CID 3398642) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine
PubChem CID3398642
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine
SMILESCSc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1
InChIInChI=1S/C18H19N3S/c1-21-17(15-6-4-3-5-7-15)13-20-18(21)19-12-14-8-10-16(22-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeySERKUURELHQLBA-UHFFFAOYSA-N
XLogP4.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine (CID 3398642) is 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine is CSc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine?
The InChIKey is SERKUURELHQLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-21-17(15-6-4-3-5-7-15)13-20-18(21)19-12-14-8-10-16(22-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine?
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine has a molecular weight of 309.44 g/mol, XLogP of 4.42, 5 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-phenylimidazol-2-amine is sourced from PubChem (CID 3398642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).