1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione

C25H22F6N6O4 — CID 161143735

IUPAC1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione
SMILESC=CCC1C(=O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C=CCC1NC(=O)N(c2cc(C(F)(F)F)ccn2)C1=O
InChIInChI=1S/C13H12F3N3O2.C12H10F3N3O2/c1-3-4-9-11(20)19(12(21)18(9)2)10-7-8(5-6-17-10)13(14,15)16;1-2-3-8-10(19)18(11(20)17-8)9-6-7(4-5-16-9)12(13,14)15/h3,5-7,9H,1,4H2,2H3;2,4-6,8H,1,3H2,(H,17,20)
InChIKeyUNTXQOWLQYQTQQ-UHFFFAOYSA-N
MW584.48 g/mol
LogP4.54
Rot. Bonds6

About 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione

1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione (PubChem CID 161143735) has the molecular formula C25H22F6N6O4 and a molecular weight of 584.48 g/mol. Its IUPAC name is 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione
PubChem CID161143735
Molecular FormulaC25H22F6N6O4
Molecular Weight584.48 g/mol
Exact Mass584.16
IUPAC Name1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione
SMILESC=CCC1C(=O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C=CCC1NC(=O)N(c2cc(C(F)(F)F)ccn2)C1=O
InChIInChI=1S/C13H12F3N3O2.C12H10F3N3O2/c1-3-4-9-11(20)19(12(21)18(9)2)10-7-8(5-6-17-10)13(14,15)16;1-2-3-8-10(19)18(11(20)17-8)9-6-7(4-5-16-9)12(13,14)15/h3,5-7,9H,1,4H2,2H3;2,4-6,8H,1,3H2,(H,17,20)
InChIKeyUNTXQOWLQYQTQQ-UHFFFAOYSA-N
XLogP4.54
TPSA115.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Org-13011
CID 9907401
1-[4-[2-(3,3-Difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]piperidin-1-yl]ethanone
CID 90067588
2-[2-(3-Fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72793650
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11812296
1-{2-[4-(5-Trifluoromethyl-pyridin-2-ylamino)-cyclohexylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 10111288
1-{2-[2-(5-Trifluoromethyl-pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 11056962
1-{2-[2-(3-Trifluoromethyl-pyridin-2-ylamino)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile
CID 11727562
thiazolidin-3-yl((2S,4S)-4-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44439350
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565871
cis-2-(4-((3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl)piperazin-1-yl)nicotinonitrile
CID 44565872
(2S,4S)-4-fluoro-1-(2-(1-(5-(trifluoromethyl)pyridin-2-yl)piperidin-4-ylamino)acetyl)pyrrolidine-2-carbonitrile
CID 44567750
1-((2-(Isopropylamino)pyridin-4-yl)methyl)-5,5-dimethyl-3-(4-(trifluoromethylthio)phenyl)imidazolidine-2,4-dione
CID 54584369

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione (CID 161143735) is 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione is C=CCC1C(=O)N(c2cc(C(F)(F)F)ccn2)C(=O)N1C.C=CCC1NC(=O)N(c2cc(C(F)(F)F)ccn2)C1=O.
What is the InChIKey of 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is UNTXQOWLQYQTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2.C12H10F3N3O2/c1-3-4-9-11(20)19(12(21)18(9)2)10-7-8(5-6-17-10)13(14,15)16;1-2-3-8-10(19)18(11(20)17-8)9-6-7(4-5-16-9)12(13,14)15/h3,5-7,9H,1,4H2,2H3;2,4-6,8H,1,3H2,(H,17,20).
What are the key properties of 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione?
1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 584.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione;5-prop-2-enyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 161143735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).