5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine

C13H11BrClN3S — CID 79504982

IUPAC5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)s2)N1c1cccc(Cl)c1
InChIInChI=1S/C13H11BrClN3S/c14-12-5-4-11(19-12)10-7-17-13(16)18(10)9-3-1-2-8(15)6-9/h1-6,10H,7H2,(H2,16,17)
InChIKeySKXIMWYFKCWIDX-UHFFFAOYSA-N
MW356.68 g/mol
LogP4.04
Rot. Bonds2

About 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine

5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79504982) has the molecular formula C13H11BrClN3S and a molecular weight of 356.68 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79504982
Molecular FormulaC13H11BrClN3S
Molecular Weight356.68 g/mol
Exact Mass354.95
IUPAC Name5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)s2)N1c1cccc(Cl)c1
InChIInChI=1S/C13H11BrClN3S/c14-12-5-4-11(19-12)10-7-17-13(16)18(10)9-3-1-2-8(15)6-9/h1-6,10H,7H2,(H2,16,17)
InChIKeySKXIMWYFKCWIDX-UHFFFAOYSA-N
XLogP4.04
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.68
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine (CID 79504982) is 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(Br)s2)N1c1cccc(Cl)c1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is SKXIMWYFKCWIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3S/c14-12-5-4-11(19-12)10-7-17-13(16)18(10)9-3-1-2-8(15)6-9/h1-6,10H,7H2,(H2,16,17).
What are the key properties of 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine?
5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 356.68 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-1-(3-chlorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79504982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).