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

1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
Lepidiline B
CID 9862174
4,5-Diphenyl-2-(propan-2-yl)-1h-imidazole
CID 294543
1-Methyl-4,5-diphenyl-1H-imidazole
CID 12974798
5-(3,4-Dimethyl-phenyl)-1-methyl-1H-imidazol-2-ylamine
CID 653440
1-methyl-5-(4-methylphenyl)-N-[4-(propan-2-yl)benzyl]-1H-imidazol-2-amine
CID 3877542
N-methyl-N-[(1-methyl-4,5-diphenylimidazol-2-yl)methyl]aniline
CID 72164281
1-pentyl-5-phenyl-1H-imidazol-2-amine
CID 6917245
(1S)-2-methyl-1-[1-(m-tolylmethyl)benzimidazol-2-yl]propan-1-amine
CID 54757248
1H-Imidazole, 2,4,5-triphenyl-1-(phenylmethyl)-
CID 3615012
1-cyclopropyl-5-phenyl-1H-imidazol-2-amine
CID 53316792

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).