5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine

C10H8BrCl2N3 — CID 84604378

IUPAC5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(N)nc(-c2ccc(Cl)c(Cl)c2)c1Br
InChIInChI=1S/C10H8BrCl2N3/c1-16-9(11)8(15-10(16)14)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15)
InChIKeyNHSMQTHHLXTFQF-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.74
Rot. Bonds1

About 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine

5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine (PubChem CID 84604378) has the molecular formula C10H8BrCl2N3 and a molecular weight of 321.01 g/mol. Its IUPAC name is 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
PubChem CID84604378
Molecular FormulaC10H8BrCl2N3
Molecular Weight321.01 g/mol
Exact Mass318.93
IUPAC Name5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(N)nc(-c2ccc(Cl)c(Cl)c2)c1Br
InChIInChI=1S/C10H8BrCl2N3/c1-16-9(11)8(15-10(16)14)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15)
InChIKeyNHSMQTHHLXTFQF-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-amino-5-bromo-1-methylimidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 84610373
5-bromo-6-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazole
CID 134114479
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
4-(3,4-dichlorophenyl)imidazole-1,5-diamine
CID 62482755
6-(3,4-dichlorophenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823509
2-(3,4-dichlorophenyl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 56687055
3-(3,4-dichlorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336366
5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole
CID 116887927
4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501533
[2-(3,4-dichlorophenyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721393
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine?
The IUPAC name of 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine (CID 84604378) is 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine?
The canonical SMILES for 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine is Cn1c(N)nc(-c2ccc(Cl)c(Cl)c2)c1Br.
What is the InChIKey of 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine?
The InChIKey is NHSMQTHHLXTFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N3/c1-16-9(11)8(15-10(16)14)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15).
What are the key properties of 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine?
5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine has a molecular weight of 321.01 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,4-dichlorophenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 84604378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).