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

C15H16F3N3 — CID 63050859

IUPAC3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
SMILESCCCc1nc(-c2cc(F)c(F)c(F)c2)c(N)n1C1CC1
InChIInChI=1S/C15H16F3N3/c1-2-3-12-20-14(15(19)21(12)9-4-5-9)8-6-10(16)13(18)11(17)7-8/h6-7,9H,2-5,19H2,1H3
InChIKeyRYDGGVSYWRCLFG-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.84
Rot. Bonds4

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

3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine (PubChem CID 63050859) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
PubChem CID63050859
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
SMILESCCCc1nc(-c2cc(F)c(F)c(F)c2)c(N)n1C1CC1
InChIInChI=1S/C15H16F3N3/c1-2-3-12-20-14(15(19)21(12)9-4-5-9)8-6-10(16)13(18)11(17)7-8/h6-7,9H,2-5,19H2,1H3
InChIKeyRYDGGVSYWRCLFG-UHFFFAOYSA-N
XLogP3.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The IUPAC name of 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine (CID 63050859) is 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine is CCCc1nc(-c2cc(F)c(F)c(F)c2)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
The InChIKey is RYDGGVSYWRCLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-2-3-12-20-14(15(19)21(12)9-4-5-9)8-6-10(16)13(18)11(17)7-8/h6-7,9H,2-5,19H2,1H3.
What are the key properties of 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine?
3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine has a molecular weight of 295.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-propyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine is sourced from PubChem (CID 63050859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).