5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine

C14H18BrN3O — CID 62019600

IUPAC5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine
SMILESCCCCn1cnc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C14H18BrN3O/c1-3-4-7-18-9-17-13(14(18)16)11-8-10(15)5-6-12(11)19-2/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyLKRBKBPSRKWTDD-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.70
Rot. Bonds5

About 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine

5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine (PubChem CID 62019600) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine
PubChem CID62019600
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine
SMILESCCCCn1cnc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C14H18BrN3O/c1-3-4-7-18-9-17-13(14(18)16)11-8-10(15)5-6-12(11)19-2/h5-6,8-9H,3-4,7,16H2,1-2H3
InChIKeyLKRBKBPSRKWTDD-UHFFFAOYSA-N
XLogP3.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
CID 62018290
3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine
CID 62019246
5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
CID 62224515
3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine
CID 65022689
5-(3-bromophenyl)-3-butylimidazol-4-amine
CID 62017743
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
5-(3,4-dimethoxyphenyl)-3-propylimidazol-4-amine
CID 62018479
3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine
CID 62019037
3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine
CID 62019424
3-butyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62018117
5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 62219092
3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62125231

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine (CID 62019600) is 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine is CCCCn1cnc(-c2cc(Br)ccc2OC)c1N.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine?
The InChIKey is LKRBKBPSRKWTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-4-7-18-9-17-13(14(18)16)11-8-10(15)5-6-12(11)19-2/h5-6,8-9H,3-4,7,16H2,1-2H3.
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine?
5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine has a molecular weight of 324.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine is sourced from PubChem (CID 62019600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).