2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine

C16H23N3O — CID 62496137

IUPAC2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
SMILESCCCOc1cccc(-c2nc(C)n(CCC)c2N)c1
InChIInChI=1S/C16H23N3O/c1-4-9-19-12(3)18-15(16(19)17)13-7-6-8-14(11-13)20-10-5-2/h6-8,11H,4-5,9-10,17H2,1-3H3
InChIKeyBJUKHQXSBCTYAR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.64
Rot. Bonds6

About 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine

2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine (PubChem CID 62496137) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
PubChem CID62496137
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
SMILESCCCOc1cccc(-c2nc(C)n(CCC)c2N)c1
InChIInChI=1S/C16H23N3O/c1-4-9-19-12(3)18-15(16(19)17)13-7-6-8-14(11-13)20-10-5-2/h6-8,11H,4-5,9-10,17H2,1-3H3
InChIKeyBJUKHQXSBCTYAR-UHFFFAOYSA-N
XLogP3.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine?
The IUPAC name of 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine (CID 62496137) is 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine.
What is the SMILES notation for 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine?
The canonical SMILES for 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine is CCCOc1cccc(-c2nc(C)n(CCC)c2N)c1.
What is the InChIKey of 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine?
The InChIKey is BJUKHQXSBCTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-9-19-12(3)18-15(16(19)17)13-7-6-8-14(11-13)20-10-5-2/h6-8,11H,4-5,9-10,17H2,1-3H3.
What are the key properties of 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine?
2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine is sourced from PubChem (CID 62496137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).