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

C14H12Br2ClN3S — CID 102845826

IUPAC1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1sc(C2CN=C(N)N2c2ccc(Cl)c(Br)c2)cc1Br
InChIInChI=1S/C14H12Br2ClN3S/c1-7-9(15)5-13(21-7)12-6-19-14(18)20(12)8-2-3-11(17)10(16)4-8/h2-5,12H,6H2,1H3,(H2,18,19)
InChIKeyHVJOMNJOCSBRJI-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.11
Rot. Bonds2

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

1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 102845826) has the molecular formula C14H12Br2ClN3S and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID102845826
Molecular FormulaC14H12Br2ClN3S
Molecular Weight449.60 g/mol
Exact Mass446.88
IUPAC Name1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1sc(C2CN=C(N)N2c2ccc(Cl)c(Br)c2)cc1Br
InChIInChI=1S/C14H12Br2ClN3S/c1-7-9(15)5-13(21-7)12-6-19-14(18)20(12)8-2-3-11(17)10(16)4-8/h2-5,12H,6H2,1H3,(H2,18,19)
InChIKeyHVJOMNJOCSBRJI-UHFFFAOYSA-N
XLogP5.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine (CID 102845826) is 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine is Cc1sc(C2CN=C(N)N2c2ccc(Cl)c(Br)c2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is HVJOMNJOCSBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClN3S/c1-7-9(15)5-13(21-7)12-6-19-14(18)20(12)8-2-3-11(17)10(16)4-8/h2-5,12H,6H2,1H3,(H2,18,19).
What are the key properties of 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 449.60 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102845826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).