5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine

C15H19BrClN3 — CID 66161306

IUPAC5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2cc(Cl)ccc2Br)c(N)n1C(C)C
InChIInChI=1S/C15H19BrClN3/c1-8(2)15-19-13(14(18)20(15)9(3)4)11-7-10(17)5-6-12(11)16/h5-9H,18H2,1-4H3
InChIKeyDGONENASWOECCC-UHFFFAOYSA-N
MW356.70 g/mol
LogP5.25
Rot. Bonds3

About 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine

5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine (PubChem CID 66161306) has the molecular formula C15H19BrClN3 and a molecular weight of 356.70 g/mol. Its IUPAC name is 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine.

Molecular Properties

Compound Name5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
PubChem CID66161306
Molecular FormulaC15H19BrClN3
Molecular Weight356.70 g/mol
Exact Mass355.05
IUPAC Name5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2cc(Cl)ccc2Br)c(N)n1C(C)C
InChIInChI=1S/C15H19BrClN3/c1-8(2)15-19-13(14(18)20(15)9(3)4)11-7-10(17)5-6-12(11)16/h5-9H,18H2,1-4H3
InChIKeyDGONENASWOECCC-UHFFFAOYSA-N
XLogP5.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The IUPAC name of 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine (CID 66161306) is 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine.
What is the SMILES notation for 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The canonical SMILES for 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine is CC(C)c1nc(-c2cc(Cl)ccc2Br)c(N)n1C(C)C.
What is the InChIKey of 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The InChIKey is DGONENASWOECCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3/c1-8(2)15-19-13(14(18)20(15)9(3)4)11-7-10(17)5-6-12(11)16/h5-9H,18H2,1-4H3.
What are the key properties of 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine has a molecular weight of 356.70 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine is sourced from PubChem (CID 66161306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).