5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine

C16H22BrN3O — CID 62219915

IUPAC5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2ccc(OC)c(Br)c2)c1N
InChIInChI=1S/C16H22BrN3O/c1-4-6-9-20-14(5-2)19-15(16(20)18)11-7-8-13(21-3)12(17)10-11/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyKSUUYTMSYFKHGH-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.27
Rot. Bonds6

About 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine

5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine (PubChem CID 62219915) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine
PubChem CID62219915
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2ccc(OC)c(Br)c2)c1N
InChIInChI=1S/C16H22BrN3O/c1-4-6-9-20-14(5-2)19-15(16(20)18)11-7-8-13(21-3)12(17)10-11/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyKSUUYTMSYFKHGH-UHFFFAOYSA-N
XLogP4.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine
CID 62219554
5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine
CID 62220561
3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 55048354
3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
CID 63467991
5-(3-bromo-4-methoxyphenyl)-3-cyclopropyl-2-propylimidazol-4-amine
CID 62219065
3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine
CID 63468177
2-ethyl-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-amine
CID 65096550
5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
CID 66481464
2-ethyl-5-naphthalen-2-yl-3-propylimidazol-4-amine
CID 62224711
2-ethyl-5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62224543
5-(3,4-dimethoxyphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220657
3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 63468172

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine?
The IUPAC name of 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine (CID 62219915) is 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine.
What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine?
The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine is CCCCn1c(CC)nc(-c2ccc(OC)c(Br)c2)c1N.
What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine?
The InChIKey is KSUUYTMSYFKHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-4-6-9-20-14(5-2)19-15(16(20)18)11-7-8-13(21-3)12(17)10-11/h7-8,10H,4-6,9,18H2,1-3H3.
What are the key properties of 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine?
5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine has a molecular weight of 352.28 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine is sourced from PubChem (CID 62219915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).