1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine

C14H16F3N3O — CID 106556806

IUPAC1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H16F3N3O/c1-2-21-9-3-7-20-8-6-18-14(20)19-11-5-4-10(15)12(16)13(11)17/h4-6,8H,2-3,7,9H2,1H3,(H,18,19)
InChIKeyQZYVCCKKPGKZLJ-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.47
Rot. Bonds7

About 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine

1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine (PubChem CID 106556806) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
PubChem CID106556806
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H16F3N3O/c1-2-21-9-3-7-20-8-6-18-14(20)19-11-5-4-10(15)12(16)13(11)17/h4-6,8H,2-3,7,9H2,1H3,(H,18,19)
InChIKeyQZYVCCKKPGKZLJ-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine (CID 106556806) is 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine is CCOCCCn1ccnc1Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine?
The InChIKey is QZYVCCKKPGKZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-21-9-3-7-20-8-6-18-14(20)19-11-5-4-10(15)12(16)13(11)17/h4-6,8H,2-3,7,9H2,1H3,(H,18,19).
What are the key properties of 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine?
1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine has a molecular weight of 299.30 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106556806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).