1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine

C16H16BrN3S — CID 79502469

IUPAC1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCSc1ccc(C2CN=C(N)N2c2ccccc2Br)cc1
InChIInChI=1S/C16H16BrN3S/c1-21-12-8-6-11(7-9-12)15-10-19-16(18)20(15)14-5-3-2-4-13(14)17/h2-9,15H,10H2,1H3,(H2,18,19)
InChIKeyVSLLXRUFYUICHW-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.05
Rot. Bonds3

About 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine

1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79502469) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79502469
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine
SMILESCSc1ccc(C2CN=C(N)N2c2ccccc2Br)cc1
InChIInChI=1S/C16H16BrN3S/c1-21-12-8-6-11(7-9-12)15-10-19-16(18)20(15)14-5-3-2-4-13(14)17/h2-9,15H,10H2,1H3,(H2,18,19)
InChIKeyVSLLXRUFYUICHW-UHFFFAOYSA-N
XLogP4.05
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79514402
1-(2-bromophenyl)-5-(4-bromophenyl)-4,5-dihydroimidazol-2-amine
CID 79515071
1-(2-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79500908
1-(2-bromophenyl)-5-(3-chloro-4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 81159732
5-(4-bromophenyl)-1-(2-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79501885
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79500811
1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 79514249
5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505348
4-[2-amino-3-(2-methoxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
CID 79501434
5-(3,4-dichlorophenyl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79499865
1-(2-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79499908
5-(3-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79504670

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine (CID 79502469) is 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine is CSc1ccc(C2CN=C(N)N2c2ccccc2Br)cc1.
What is the InChIKey of 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is VSLLXRUFYUICHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-21-12-8-6-11(7-9-12)15-10-19-16(18)20(15)14-5-3-2-4-13(14)17/h2-9,15H,10H2,1H3,(H2,18,19).
What are the key properties of 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine?
1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 362.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-(4-methylsulfanylphenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79502469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).