5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine

C16H18BrN3O — CID 62221059

IUPAC5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C16H18BrN3O/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-10-11(17)7-8-13(12)21-3/h2,7-8,10H,4,6,9,18H2,1,3H3
InChIKeySOVYDBMXCCIZMY-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.49
Rot. Bonds5

About 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine

5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine (PubChem CID 62221059) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
PubChem CID62221059
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C16H18BrN3O/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-10-11(17)7-8-13(12)21-3/h2,7-8,10H,4,6,9,18H2,1,3H3
InChIKeySOVYDBMXCCIZMY-UHFFFAOYSA-N
XLogP3.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 55048312
5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 62219092
5-(4-bromo-3-fluorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 81441852
4-(2,5-dimethoxyphenyl)-2-propylimidazole-1,5-diamine
CID 62506594
5-(5-bromo-2-methoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224005
5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
CID 62018290
5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 79971882
6-bromo-2-(5-bromo-2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618959
5-(3,4-dimethoxyphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220657
2-tert-butyl-5-(2-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62218473
5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine
CID 62019600
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine (CID 62221059) is 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CCC)nc(-c2cc(Br)ccc2OC)c1N.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
The InChIKey is SOVYDBMXCCIZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-4-6-14-19-15(16(18)20(14)9-5-2)12-10-11(17)7-8-13(12)21-3/h2,7-8,10H,4,6,9,18H2,1,3H3.
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine?
5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine has a molecular weight of 348.24 g/mol, XLogP of 3.49, 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)-2-propyl-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62221059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).