1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine

C14H16F3N3O — CID 79499144

IUPAC1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(F)c(F)c(F)c2)N1CC1CCCO1
InChIInChI=1S/C14H16F3N3O/c15-10-4-8(5-11(16)13(10)17)12-6-19-14(18)20(12)7-9-2-1-3-21-9/h4-5,9,12H,1-3,6-7H2,(H2,18,19)
InChIKeyPGEWMFHXBHCEIH-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.95
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine

1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79499144) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79499144
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(F)c(F)c(F)c2)N1CC1CCCO1
InChIInChI=1S/C14H16F3N3O/c15-10-4-8(5-11(16)13(10)17)12-6-19-14(18)20(12)7-9-2-1-3-21-9/h4-5,9,12H,1-3,6-7H2,(H2,18,19)
InChIKeyPGEWMFHXBHCEIH-UHFFFAOYSA-N
XLogP1.95
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79499144) is 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(F)c(F)c(F)c2)N1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is PGEWMFHXBHCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-10-4-8(5-11(16)13(10)17)12-6-19-14(18)20(12)7-9-2-1-3-21-9/h4-5,9,12H,1-3,6-7H2,(H2,18,19).
What are the key properties of 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine?
1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 299.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79499144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).