1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine

C16H21F2N3 — CID 134525386

IUPAC1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine
SMILESC=C(F)/C=C(\CC=C(F)CC)Cn1cnc(NC(=C)C)c1
InChIInChI=1S/C16H21F2N3/c1-5-15(18)7-6-14(8-13(4)17)9-21-10-16(19-11-21)20-12(2)3/h7-8,10-11,20H,2,4-6,9H2,1,3H3/b14-8+,15-7?
InChIKeySRNRNLFCRFQSQS-POJMYKRESA-N
MW293.36 g/mol
LogP4.89
Rot. Bonds8

About 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine

1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine (PubChem CID 134525386) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine.

Molecular Properties

Compound Name1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine
PubChem CID134525386
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine
SMILESC=C(F)/C=C(\CC=C(F)CC)Cn1cnc(NC(=C)C)c1
InChIInChI=1S/C16H21F2N3/c1-5-15(18)7-6-14(8-13(4)17)9-21-10-16(19-11-21)20-12(2)3/h7-8,10-11,20H,2,4-6,9H2,1,3H3/b14-8+,15-7?
InChIKeySRNRNLFCRFQSQS-POJMYKRESA-N
XLogP4.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine?
The IUPAC name of 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine (CID 134525386) is 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine.
What is the SMILES notation for 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine?
The canonical SMILES for 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine is C=C(F)/C=C(\CC=C(F)CC)Cn1cnc(NC(=C)C)c1.
What is the InChIKey of 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine?
The InChIKey is SRNRNLFCRFQSQS-POJMYKRESA-N. The full InChI is InChI=1S/C16H21F2N3/c1-5-15(18)7-6-14(8-13(4)17)9-21-10-16(19-11-21)20-12(2)3/h7-8,10-11,20H,2,4-6,9H2,1,3H3/b14-8+,15-7?.
What are the key properties of 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine?
1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine has a molecular weight of 293.36 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-5-fluoro-2-(2-fluoroprop-2-enylidene)hept-4-enyl]-N-prop-1-en-2-ylimidazol-4-amine is sourced from PubChem (CID 134525386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).