1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine

C23H33FN4 — CID 123965615

IUPAC1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine
SMILESC=CC=C(C(=C)C(=CC=C(C)F)CC)C(C)n1cncc1CN1CCNCC1
InChIInChI=1S/C23H33FN4/c1-6-8-23(19(4)21(7-2)10-9-18(3)24)20(5)28-17-26-15-22(28)16-27-13-11-25-12-14-27/h6,8-10,15,17,20,25H,1,4,7,11-14,16H2,2-3,5H3
InChIKeyFZUQWWGICASCDN-UHFFFAOYSA-N
MW384.54 g/mol
LogP4.73
Rot. Bonds9

About 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine

1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine (PubChem CID 123965615) has the molecular formula C23H33FN4 and a molecular weight of 384.54 g/mol. Its IUPAC name is 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine
PubChem CID123965615
Molecular FormulaC23H33FN4
Molecular Weight384.54 g/mol
Exact Mass384.27
IUPAC Name1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine
SMILESC=CC=C(C(=C)C(=CC=C(C)F)CC)C(C)n1cncc1CN1CCNCC1
InChIInChI=1S/C23H33FN4/c1-6-8-23(19(4)21(7-2)10-9-18(3)24)20(5)28-17-26-15-22(28)16-27-13-11-25-12-14-27/h6,8-10,15,17,20,25H,1,4,7,11-14,16H2,2-3,5H3
InChIKeyFZUQWWGICASCDN-UHFFFAOYSA-N
XLogP4.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine (CID 123965615) is 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine is C=CC=C(C(=C)C(=CC=C(C)F)CC)C(C)n1cncc1CN1CCNCC1.
What is the InChIKey of 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine?
The InChIKey is FZUQWWGICASCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4/c1-6-8-23(19(4)21(7-2)10-9-18(3)24)20(5)28-17-26-15-22(28)16-27-13-11-25-12-14-27/h6,8-10,15,17,20,25H,1,4,7,11-14,16H2,2-3,5H3.
What are the key properties of 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine?
1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine has a molecular weight of 384.54 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(5-ethyl-8-fluoro-4-methylidene-3-prop-2-enylidenenona-5,7-dien-2-yl)imidazol-4-yl]methyl]piperazine is sourced from PubChem (CID 123965615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).