5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine

C16H19N3 — CID 79980442

IUPAC5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cccc(C3CC3)c2)c1N
InChIInChI=1S/C16H19N3/c1-3-9-19-11(2)18-15(16(19)17)14-6-4-5-13(10-14)12-7-8-12/h3-6,10,12H,1,7-9,17H2,2H3
InChIKeyFZOBOANNTZOUIQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.50
Rot. Bonds4

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

5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (PubChem CID 79980442) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
PubChem CID79980442
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cccc(C3CC3)c2)c1N
InChIInChI=1S/C16H19N3/c1-3-9-19-11(2)18-15(16(19)17)14-6-4-5-13(10-14)12-7-8-12/h3-6,10,12H,1,7-9,17H2,2H3
InChIKeyFZOBOANNTZOUIQ-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 62498321
5-(3,5-dimethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62225256
5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62225991
2-methyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62224002
5-(3-cyclopropylphenyl)-2,3-dipropylimidazol-4-amine
CID 79973607
3-(5-amino-2-cyclopropyl-1-prop-2-enylimidazol-4-yl)benzonitrile
CID 62220395
2-cyclopropyl-5-(4-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 62220393
5-(4-methoxy-3-methylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224174
5-(4-ethylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 55048395
5-(3-chloro-4-methylphenyl)-2-cyclopropyl-3-prop-2-enylimidazol-4-amine
CID 106818290
2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine
CID 62224177
5-(3,5-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224004

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine (CID 79980442) is 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C)nc(-c2cccc(C3CC3)c2)c1N.
What is the InChIKey of 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is FZOBOANNTZOUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-9-19-11(2)18-15(16(19)17)14-6-4-5-13(10-14)12-7-8-12/h3-6,10,12H,1,7-9,17H2,2H3.
What are the key properties of 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine?
5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 79980442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).