2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine

C15H14F3N3 — CID 63050184

IUPAC2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2cc(F)c(F)c(F)c2)c1N
InChIInChI=1S/C15H14F3N3/c1-2-5-21-14(19)13(20-15(21)8-3-4-8)9-6-10(16)12(18)11(17)7-9/h2,6-8H,1,3-5,19H2
InChIKeySALDBYWMASTTNR-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.61
Rot. Bonds4

About 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine

2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine (PubChem CID 63050184) has the molecular formula C15H14F3N3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
PubChem CID63050184
Molecular FormulaC15H14F3N3
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
SMILESC=CCn1c(C2CC2)nc(-c2cc(F)c(F)c(F)c2)c1N
InChIInChI=1S/C15H14F3N3/c1-2-5-21-14(19)13(20-15(21)8-3-4-8)9-6-10(16)12(18)11(17)7-9/h2,6-8H,1,3-5,19H2
InChIKeySALDBYWMASTTNR-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The IUPAC name of 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine (CID 63050184) is 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine is C=CCn1c(C2CC2)nc(-c2cc(F)c(F)c(F)c2)c1N.
What is the InChIKey of 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The InChIKey is SALDBYWMASTTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3/c1-2-5-21-14(19)13(20-15(21)8-3-4-8)9-6-10(16)12(18)11(17)7-9/h2,6-8H,1,3-5,19H2.
What are the key properties of 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine has a molecular weight of 293.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-prop-2-enyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine is sourced from PubChem (CID 63050184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).