2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine

C16H19N3 — CID 55048790

IUPAC2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2ccccc2C)c1N
InChIInChI=1S/C16H19N3/c1-3-10-19-15(17)14(18-16(19)12-8-9-12)13-7-5-4-6-11(13)2/h3-7,12H,1,8-10,17H2,2H3
InChIKeyPIVVVCBXVPVHPA-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.50
Rot. Bonds4

About 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine

2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 55048790) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID55048790
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2ccccc2C)c1N
InChIInChI=1S/C16H19N3/c1-3-10-19-15(17)14(18-16(19)12-8-9-12)13-7-5-4-6-11(13)2/h3-7,12H,1,8-10,17H2,2H3
InChIKeyPIVVVCBXVPVHPA-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine (CID 55048790) is 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C2CC2)nc(-c2ccccc2C)c1N.
What is the InChIKey of 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is PIVVVCBXVPVHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-10-19-15(17)14(18-16(19)12-8-9-12)13-7-5-4-6-11(13)2/h3-7,12H,1,8-10,17H2,2H3.
What are the key properties of 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine?
2-cyclopropyl-5-(2-methylphenyl)-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 2-cyclopropyl-5-(2-methylphenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 55048790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).