1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

C21H20FN5O3 — CID 58247869

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESCc1nc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)no1
InChIInChI=1S/C21H20FN5O3/c1-14-24-19(25-30-14)7-6-18(28)16-8-9-23-20(12-16)27-11-10-26(21(27)29)13-15-2-4-17(22)5-3-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3
InChIKeyMDWXMKQGJHARQJ-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.17
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247869) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58247869
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESCc1nc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)no1
InChIInChI=1S/C21H20FN5O3/c1-14-24-19(25-30-14)7-6-18(28)16-8-9-23-20(12-16)27-11-10-26(21(27)29)13-15-2-4-17(22)5-3-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3
InChIKeyMDWXMKQGJHARQJ-UHFFFAOYSA-N
XLogP3.17
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247786
methyl 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 58247772
1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247863
1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
CID 58247767
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide
CID 141255919
1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 58247776
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-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 44552917
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 141255917
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 141255918
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051134

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247869) is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is Cc1nc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)no1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is MDWXMKQGJHARQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-14-24-19(25-30-14)7-6-18(28)16-8-9-23-20(12-16)27-11-10-26(21(27)29)13-15-2-4-17(22)5-3-15/h2-5,8-9,12H,6-7,10-11,13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 409.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).