5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine

C13H11Br2N3S — CID 102845790

IUPAC5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)c(Br)s2)N1c1ccccc1
InChIInChI=1S/C13H11Br2N3S/c14-9-6-11(19-12(9)15)10-7-17-13(16)18(10)8-4-2-1-3-5-8/h1-6,10H,7H2,(H2,16,17)
InChIKeyOLDUIRTYZJORJH-UHFFFAOYSA-N
MW401.13 g/mol
LogP4.15
Rot. Bonds2

About 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine

5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 102845790) has the molecular formula C13H11Br2N3S and a molecular weight of 401.13 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID102845790
Molecular FormulaC13H11Br2N3S
Molecular Weight401.13 g/mol
Exact Mass398.90
IUPAC Name5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)c(Br)s2)N1c1ccccc1
InChIInChI=1S/C13H11Br2N3S/c14-9-6-11(19-12(9)15)10-7-17-13(16)18(10)8-4-2-1-3-5-8/h1-6,10H,7H2,(H2,16,17)
InChIKeyOLDUIRTYZJORJH-UHFFFAOYSA-N
XLogP4.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine (CID 102845790) is 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(Br)c(Br)s2)N1c1ccccc1.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is OLDUIRTYZJORJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3S/c14-9-6-11(19-12(9)15)10-7-17-13(16)18(10)8-4-2-1-3-5-8/h1-6,10H,7H2,(H2,16,17).
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine?
5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 401.13 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102845790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).