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

C22H22FN5O2 — CID 58247786

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESCn1cnc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)c1
InChIInChI=1S/C22H22FN5O2/c1-26-14-19(25-15-26)6-7-20(29)17-8-9-24-21(12-17)28-11-10-27(22(28)30)13-16-2-4-18(23)5-3-16/h2-5,8-9,12,14-15H,6-7,10-11,13H2,1H3
InChIKeySKWGSLIZKWGILX-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.21
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247786) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58247786
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESCn1cnc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)c1
InChIInChI=1S/C22H22FN5O2/c1-26-14-19(25-15-26)6-7-20(29)17-8-9-24-21(12-17)28-11-10-27(22(28)30)13-16-2-4-18(23)5-3-16/h2-5,8-9,12,14-15H,6-7,10-11,13H2,1H3
InChIKeySKWGSLIZKWGILX-UHFFFAOYSA-N
XLogP3.21
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247869
1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 58247820
methyl 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 58247772
1-[4-(3-pyridin-2-ylpropanoyl)-2-pyridinyl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 58247776
1-[(3,4-difluorophenyl)methyl]-3-[4-[3-(1,3-thiazol-2-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247863
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-3-ylmethyl)pyridine-4-carboxamide
CID 141255917
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide
CID 141255919
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-(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
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-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247786) is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is Cn1cnc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is SKWGSLIZKWGILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-26-14-19(25-15-26)6-7-20(29)17-8-9-24-21(12-17)28-11-10-27(22(28)30)13-16-2-4-18(23)5-3-16/h2-5,8-9,12,14-15H,6-7,10-11,13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 407.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).