1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

C21H18F2N4O2S — CID 58247863

IUPAC1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1nccs1)c1ccnc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)c1
InChIInChI=1S/C21H18F2N4O2S/c22-16-2-1-14(11-17(16)23)13-26-8-9-27(21(26)29)19-12-15(5-6-24-19)18(28)3-4-20-25-7-10-30-20/h1-2,5-7,10-12H,3-4,8-9,13H2
InChIKeyQUCGOTQRFHBRRC-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.07
Rot. Bonds7

About 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247863) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58247863
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1nccs1)c1ccnc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)c1
InChIInChI=1S/C21H18F2N4O2S/c22-16-2-1-14(11-17(16)23)13-26-8-9-27(21(26)29)19-12-15(5-6-24-19)18(28)3-4-20-25-7-10-30-20/h1-2,5-7,10-12H,3-4,8-9,13H2
InChIKeyQUCGOTQRFHBRRC-UHFFFAOYSA-N
XLogP4.07
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247863) is 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is O=C(CCc1nccs1)c1ccnc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is QUCGOTQRFHBRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c22-16-2-1-14(11-17(16)23)13-26-8-9-27(21(26)29)19-12-15(5-6-24-19)18(28)3-4-20-25-7-10-30-20/h1-2,5-7,10-12H,3-4,8-9,13H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 428.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).