3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine

C16H22FN3 — CID 154959998

IUPAC3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine
SMILESC=C(C)C1=NCC(C2CC=C(CC)C=C2N)N1/C=C\F
InChIInChI=1S/C16H22FN3/c1-4-12-5-6-13(14(18)9-12)15-10-19-16(11(2)3)20(15)8-7-17/h5,7-9,13,15H,2,4,6,10,18H2,1,3H3/b8-7-
InChIKeyFEAVZLXTNFDYKA-FPLPWBNLSA-N
MW275.37 g/mol
LogP3.28
Rot. Bonds4

About 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine

3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 154959998) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine
PubChem CID154959998
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine
SMILESC=C(C)C1=NCC(C2CC=C(CC)C=C2N)N1/C=C\F
InChIInChI=1S/C16H22FN3/c1-4-12-5-6-13(14(18)9-12)15-10-19-16(11(2)3)20(15)8-7-17/h5,7-9,13,15H,2,4,6,10,18H2,1,3H3/b8-7-
InChIKeyFEAVZLXTNFDYKA-FPLPWBNLSA-N
XLogP3.28
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123682024
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CID 163792939
2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine
CID 170189287
(Z)-2-(1-aminoethenyl)-N'-(aminomethyl)-4-fluoro-N-(2-methylimino-3-prop-1-en-2-yl-3,4-dihydro-1H-pyridin-5-yl)pent-2-enimidamide
CID 173739569
5-[amino(cyclopentyl)methylidene]-N-[1-(6-fluoro-2,3-dihydropyridin-3-yl)ethyl]-2-methyl-6-methylidenepyrimidin-4-amine
CID 173768374
N-[(3E)-2-aminopenta-1,3-dien-3-yl]-N'-[(1E)-2-fluoro-1-(4-methyl-3a,7a-dihydroindol-1-yl)buta-1,3-dienyl]ethanimidamide
CID 174245262
4-[1-(2-Methylprop-2-enyl)-3a,4,7,7a-tetrahydrobenzimidazol-2-yl]cyclohexa-1,5-dien-1-amine
CID 89973201
2-Butan-2-yl-8-ethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 144871877
(3E)-4-butan-2-yl-N-[(E)-but-1-enyl]-3-[1-(3-methylpiperazin-1-yl)ethylidene]pyrrol-2-amine;ethane
CID 168185837
(3E)-4-butan-2-yl-N-[(E)-but-1-enyl]-3-(1-piperazin-1-ylethylidene)pyrrol-2-amine
CID 168184634
(3E)-4-butan-2-yl-N-[(E)-but-1-enyl]-3-[1-(3-methylpiperazin-1-yl)ethylidene]pyrrol-2-amine
CID 168185838

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine (CID 154959998) is 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine is C=C(C)C1=NCC(C2CC=C(CC)C=C2N)N1/C=C\F.
What is the InChIKey of 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is FEAVZLXTNFDYKA-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-12-5-6-13(14(18)9-12)15-10-19-16(11(2)3)20(15)8-7-17/h5,7-9,13,15H,2,4,6,10,18H2,1,3H3/b8-7-.
What are the key properties of 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine?
3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[3-[(Z)-2-fluoroethenyl]-2-prop-1-en-2-yl-4,5-dihydroimidazol-4-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 154959998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).