5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine

C17H24BrN3 — CID 105410336

IUPAC5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine
SMILESCc1ccc(-c2nc(C(C)(C)C)n(C(C)C)c2N)cc1Br
InChIInChI=1S/C17H24BrN3/c1-10(2)21-15(19)14(20-16(21)17(4,5)6)12-8-7-11(3)13(18)9-12/h7-10H,19H2,1-6H3
InChIKeyHRPVWUFCHFINBW-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.08
Rot. Bonds2

About 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine

5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine (PubChem CID 105410336) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine
PubChem CID105410336
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine
SMILESCc1ccc(-c2nc(C(C)(C)C)n(C(C)C)c2N)cc1Br
InChIInChI=1S/C17H24BrN3/c1-10(2)21-15(19)14(20-16(21)17(4,5)6)12-8-7-11(3)13(18)9-12/h7-10H,19H2,1-6H3
InChIKeyHRPVWUFCHFINBW-UHFFFAOYSA-N
XLogP5.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine
CID 66481467
2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine
CID 63470006
2-tert-butyl-5-(2,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine
CID 62219707
2-tert-butyl-5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 63470005
2-tert-butyl-5-(2,5-difluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62219705
2-tert-butyl-5-(2,4-dichlorophenyl)-3-propan-2-ylimidazol-4-amine
CID 63467471
5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
CID 66481274
2-tert-butyl-5-(2-chlorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62219697
5-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 105410310
5-(3-bromo-4-chlorophenyl)-2-tert-butyl-3-ethylimidazol-4-amine
CID 83229900
5-(3-bromo-4-fluorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 55048634
2-tert-butyl-5-(1,5-dimethylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine
CID 79584029

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine (CID 105410336) is 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine is Cc1ccc(-c2nc(C(C)(C)C)n(C(C)C)c2N)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is HRPVWUFCHFINBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-10(2)21-15(19)14(20-16(21)17(4,5)6)12-8-7-11(3)13(18)9-12/h7-10H,19H2,1-6H3.
What are the key properties of 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine?
5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 350.30 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylphenyl)-2-tert-butyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 105410336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).