5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine

C15H20BrN3 — CID 66481464

IUPAC5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccc(Br)c(C)c2)c1N
InChIInChI=1S/C15H20BrN3/c1-4-5-8-19-11(3)18-14(15(19)17)12-6-7-13(16)10(2)9-12/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeyJTGQNANBJMXXPX-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.31
Rot. Bonds4

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

5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine (PubChem CID 66481464) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
PubChem CID66481464
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccc(Br)c(C)c2)c1N
InChIInChI=1S/C15H20BrN3/c1-4-5-8-19-11(3)18-14(15(19)17)12-6-7-13(16)10(2)9-12/h6-7,9H,4-5,8,17H2,1-3H3
InChIKeyJTGQNANBJMXXPX-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine (CID 66481464) is 5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine is CCCCn1c(C)nc(-c2ccc(Br)c(C)c2)c1N.
What is the InChIKey of 5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine?
The InChIKey is JTGQNANBJMXXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-5-8-19-11(3)18-14(15(19)17)12-6-7-13(16)10(2)9-12/h6-7,9H,4-5,8,17H2,1-3H3.
What are the key properties of 5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine?
5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine has a molecular weight of 322.25 g/mol, XLogP of 4.31, 4 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-methylimidazol-4-amine is sourced from PubChem (CID 66481464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).