1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

C24H21F3N4O2 — CID 58247776

IUPAC1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESO=C(CCc1ccccn1)c1ccnc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c1
InChIInChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-4-17(5-7-19)16-30-13-14-31(23(30)33)22-15-18(10-12-29-22)21(32)9-8-20-3-1-2-11-28-20/h1-7,10-12,15H,8-9,13-14,16H2
InChIKeyKSKBCSWQRYUYNC-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.75
Rot. Bonds7

About 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (PubChem CID 58247776) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
PubChem CID58247776
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESO=C(CCc1ccccn1)c1ccnc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c1
InChIInChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-4-17(5-7-19)16-30-13-14-31(23(30)33)22-15-18(10-12-29-22)21(32)9-8-20-3-1-2-11-28-20/h1-7,10-12,15H,8-9,13-14,16H2
InChIKeyKSKBCSWQRYUYNC-UHFFFAOYSA-N
XLogP4.75
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247786
3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 105095584
1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
CID 58247767
1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 58247820
1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247869
1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247863
1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051133
1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
CID 58247859
methyl 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 58247772
N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxamide
CID 44553109
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 141255918
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 44552917

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (CID 58247776) is 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is O=C(CCc1ccccn1)c1ccnc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c1.
What is the InChIKey of 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The InChIKey is KSKBCSWQRYUYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-4-17(5-7-19)16-30-13-14-31(23(30)33)22-15-18(10-12-29-22)21(32)9-8-20-3-1-2-11-28-20/h1-7,10-12,15H,8-9,13-14,16H2.
What are the key properties of 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one has a molecular weight of 454.45 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 58247776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).