2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine

C16H21N3O — CID 62224890

IUPAC2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2ccc(OC(C)C)cc2)c1N
InChIInChI=1S/C16H21N3O/c1-5-10-19-12(4)18-15(16(19)17)13-6-8-14(9-7-13)20-11(2)3/h5-9,11H,1,10,17H2,2-4H3
InChIKeyUICWOCDWUFRDFI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.41
Rot. Bonds5

About 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine

2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 62224890) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID62224890
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2ccc(OC(C)C)cc2)c1N
InChIInChI=1S/C16H21N3O/c1-5-10-19-12(4)18-15(16(19)17)13-6-8-14(9-7-13)20-11(2)3/h5-9,11H,1,10,17H2,2-4H3
InChIKeyUICWOCDWUFRDFI-UHFFFAOYSA-N
XLogP3.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine (CID 62224890) is 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C)nc(-c2ccc(OC(C)C)cc2)c1N.
What is the InChIKey of 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is UICWOCDWUFRDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-10-19-12(4)18-15(16(19)17)13-6-8-14(9-7-13)20-11(2)3/h5-9,11H,1,10,17H2,2-4H3.
What are the key properties of 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine?
2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-propan-2-yloxyphenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62224890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).