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

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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).