5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine

C9H6BrCl2N3 — CID 70833474

IUPAC5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine
SMILESNc1nc(-c2c(Cl)cccc2Cl)[nH]c1Br
InChIInChI=1S/C9H6BrCl2N3/c10-7-8(13)15-9(14-7)6-4(11)2-1-3-5(6)12/h1-3H,13H2,(H,14,15)
InChIKeyXXRRAUYZQBDIRD-UHFFFAOYSA-N
MW306.98 g/mol
LogP3.73
Rot. Bonds1

About 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine

5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine (PubChem CID 70833474) has the molecular formula C9H6BrCl2N3 and a molecular weight of 306.98 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine
PubChem CID70833474
Molecular FormulaC9H6BrCl2N3
Molecular Weight306.98 g/mol
Exact Mass304.91
IUPAC Name5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine
SMILESNc1nc(-c2c(Cl)cccc2Cl)[nH]c1Br
InChIInChI=1S/C9H6BrCl2N3/c10-7-8(13)15-9(14-7)6-4(11)2-1-3-5(6)12/h1-3H,13H2,(H,14,15)
InChIKeyXXRRAUYZQBDIRD-UHFFFAOYSA-N
XLogP3.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.98
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine?
The IUPAC name of 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine (CID 70833474) is 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine.
What is the SMILES notation for 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine?
The canonical SMILES for 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine is Nc1nc(-c2c(Cl)cccc2Cl)[nH]c1Br.
What is the InChIKey of 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine?
The InChIKey is XXRRAUYZQBDIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2N3/c10-7-8(13)15-9(14-7)6-4(11)2-1-3-5(6)12/h1-3H,13H2,(H,14,15).
What are the key properties of 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine?
5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine has a molecular weight of 306.98 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine is sourced from PubChem (CID 70833474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).