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

C17H24BrN3 — CID 66480273

IUPAC5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2ccc(Br)c(C)c2)c1N
InChIInChI=1S/C17H24BrN3/c1-5-6-9-21-16(19)15(20-17(21)11(2)3)13-7-8-14(18)12(4)10-13/h7-8,10-11H,5-6,9,19H2,1-4H3
InChIKeyAAGHYNZBYBIGSW-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.13
Rot. Bonds5

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

5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine (PubChem CID 66480273) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
PubChem CID66480273
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2ccc(Br)c(C)c2)c1N
InChIInChI=1S/C17H24BrN3/c1-5-6-9-21-16(19)15(20-17(21)11(2)3)13-7-8-14(18)12(4)10-13/h7-8,10-11H,5-6,9,19H2,1-4H3
InChIKeyAAGHYNZBYBIGSW-UHFFFAOYSA-N
XLogP5.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
CID 66481464
5-(4-bromophenyl)-3-butyl-2-propan-2-ylimidazol-4-amine
CID 63469461
5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 63469456
3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine
CID 63469463
3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine
CID 63468374
4-(5-amino-1-butyl-2-propan-2-ylimidazol-4-yl)benzonitrile
CID 62220346
3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220345
5-(4-bromo-3-methylphenyl)-2,3-dipropylimidazol-4-amine
CID 66479273
5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
CID 66481274
3-butyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 62220167
5-(4-bromo-3-methylphenyl)-2-methyl-3-prop-2-ynylimidazol-4-amine
CID 66481657
3-ethyl-5-(3-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220327

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine (CID 66480273) is 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine is CCCCn1c(C(C)C)nc(-c2ccc(Br)c(C)c2)c1N.
What is the InChIKey of 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is AAGHYNZBYBIGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-5-6-9-21-16(19)15(20-17(21)11(2)3)13-7-8-14(18)12(4)10-13/h7-8,10-11H,5-6,9,19H2,1-4H3.
What are the key properties of 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine?
5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 350.30 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylphenyl)-3-butyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 66480273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).