5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine

C18H18BrN3S — CID 5161189

IUPAC5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine
SMILESCSc1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)cc1
InChIInChI=1S/C18H18BrN3S/c1-22-17(14-4-3-5-15(19)10-14)12-21-18(22)20-11-13-6-8-16(23-2)9-7-13/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyIPZMBLGOUXEXPO-UHFFFAOYSA-N
MW388.33 g/mol
LogP5.18
Rot. Bonds5

About 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine

5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine (PubChem CID 5161189) has the molecular formula C18H18BrN3S and a molecular weight of 388.33 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine
PubChem CID5161189
Molecular FormulaC18H18BrN3S
Molecular Weight388.33 g/mol
Exact Mass387.04
IUPAC Name5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine
SMILESCSc1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)cc1
InChIInChI=1S/C18H18BrN3S/c1-22-17(14-4-3-5-15(19)10-14)12-21-18(22)20-11-13-6-8-16(23-2)9-7-13/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyIPZMBLGOUXEXPO-UHFFFAOYSA-N
XLogP5.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.33
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine (CID 5161189) is 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine is CSc1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)cc1.
What is the InChIKey of 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine?
The InChIKey is IPZMBLGOUXEXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3S/c1-22-17(14-4-3-5-15(19)10-14)12-21-18(22)20-11-13-6-8-16(23-2)9-7-13/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine?
5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine has a molecular weight of 388.33 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-methyl-N-[(4-methylsulfanylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 5161189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).