4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

C18H12F3N3O2 — CID 173120537

IUPAC4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
SMILESC[C@@]1(c2ccccc2)C(=O)NC(=O)N1c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H12F3N3O2/c1-17(12-5-3-2-4-6-12)15(25)23-16(26)24(17)13-8-7-11(10-22)14(9-13)18(19,20)21/h2-9H,1H3,(H,23,25,26)/t17-/m1/s1
InChIKeyUZQAJDALEYEHOU-QGZVFWFLSA-N
MW359.31 g/mol
LogP3.55
Rot. Bonds2

About 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile (PubChem CID 173120537) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
PubChem CID173120537
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
SMILESC[C@@]1(c2ccccc2)C(=O)NC(=O)N1c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C18H12F3N3O2/c1-17(12-5-3-2-4-6-12)15(25)23-16(26)24(17)13-8-7-11(10-22)14(9-13)18(19,20)21/h2-9H,1H3,(H,23,25,26)/t17-/m1/s1
InChIKeyUZQAJDALEYEHOU-QGZVFWFLSA-N
XLogP3.55
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-3-methylsulfonyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 91244002
4-[(4R)-3-(methoxymethyl)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 173055273
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 11162285
4-(3,3,4,4-tetramethyl-2,5-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 18409445
4-(4,4-dimethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 15952779
4-(8,8-dimethyl-2,4-dioxo-7,9-dioxa-1,3-diazaspiro[4.5]decan-3-yl)-2-(trifluoromethyl)benzonitrile
CID 139685194
4-(5,6-dihydroxy-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl)-2-(trifluoromethyl)benzonitrile
CID 10200756
4-[(3aS,4S,5R,6S,7R,7aR)-5,6-dihydroxy-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile
CID 23394937
4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile
CID 10194233
4-[4-(4-hydroxyphenyl)-4-methyl-3-methylsulfanyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 87317776
4-[(4R,7S)-4,7-dimethyl-1,3-dioxo-3a,5,6,7a-tetrahydro-4,7-epoxyisoindol-2-yl]-2-(trifluoromethyl)benzonitrile
CID 142266909
4-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 59235199

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile (CID 173120537) is 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile is C[C@@]1(c2ccccc2)C(=O)NC(=O)N1c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?
The InChIKey is UZQAJDALEYEHOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c1-17(12-5-3-2-4-6-12)15(25)23-16(26)24(17)13-8-7-11(10-22)14(9-13)18(19,20)21/h2-9H,1H3,(H,23,25,26)/t17-/m1/s1.
What are the key properties of 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile?
4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile has a molecular weight of 359.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-methyl-2,4-dioxo-5-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 173120537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).