5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine

C16H20BrN3O — CID 62220561

IUPAC5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine
SMILESCCCn1c(C2CC2)nc(-c2ccc(OC)c(Br)c2)c1N
InChIInChI=1S/C16H20BrN3O/c1-3-8-20-15(18)14(19-16(20)10-4-5-10)11-6-7-13(21-2)12(17)9-11/h6-7,9-10H,3-5,8,18H2,1-2H3
InChIKeyVSMCWCUIEOOUDV-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.19
Rot. Bonds5

About 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine

5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine (PubChem CID 62220561) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine
PubChem CID62220561
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine
SMILESCCCn1c(C2CC2)nc(-c2ccc(OC)c(Br)c2)c1N
InChIInChI=1S/C16H20BrN3O/c1-3-8-20-15(18)14(19-16(20)10-4-5-10)11-6-7-13(21-2)12(17)9-11/h6-7,9-10H,3-5,8,18H2,1-2H3
InChIKeyVSMCWCUIEOOUDV-UHFFFAOYSA-N
XLogP4.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine?
The IUPAC name of 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine (CID 62220561) is 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine?
The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine is CCCn1c(C2CC2)nc(-c2ccc(OC)c(Br)c2)c1N.
What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine?
The InChIKey is VSMCWCUIEOOUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-8-20-15(18)14(19-16(20)10-4-5-10)11-6-7-13(21-2)12(17)9-11/h6-7,9-10H,3-5,8,18H2,1-2H3.
What are the key properties of 5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine?
5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.19, 5 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)-2-cyclopropyl-3-propylimidazol-4-amine is sourced from PubChem (CID 62220561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).