1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine

C13H12BrN3S — CID 79514030

IUPAC1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccsc2)N1c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3S/c14-10-1-3-11(4-2-10)17-12(7-16-13(17)15)9-5-6-18-8-9/h1-6,8,12H,7H2,(H2,15,16)
InChIKeyFOOXHSYWFNMFFQ-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine

1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79514030) has the molecular formula C13H12BrN3S and a molecular weight of 322.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
PubChem CID79514030
Molecular FormulaC13H12BrN3S
Molecular Weight322.23 g/mol
Exact Mass320.99
IUPAC Name1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccsc2)N1c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3S/c14-10-1-3-11(4-2-10)17-12(7-16-13(17)15)9-5-6-18-8-9/h1-6,8,12H,7H2,(H2,15,16)
InChIKeyFOOXHSYWFNMFFQ-UHFFFAOYSA-N
XLogP3.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine (CID 79514030) is 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccsc2)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is FOOXHSYWFNMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S/c14-10-1-3-11(4-2-10)17-12(7-16-13(17)15)9-5-6-18-8-9/h1-6,8,12H,7H2,(H2,15,16).
What are the key properties of 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine?
1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 322.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).