1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one

C20H19FN4O2 — CID 118239104

IUPAC1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19FN4O2/c1-27-19-10-17(5-6-18(19)15-11-22-23-12-15)25-8-7-24(20(25)26)13-14-3-2-4-16(21)9-14/h2-6,9-12H,7-8,13H2,1H3,(H,22,23)
InChIKeyWGEUAXKQYVSRHY-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.67
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one

1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (PubChem CID 118239104) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
PubChem CID118239104
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H19FN4O2/c1-27-19-10-17(5-6-18(19)15-11-22-23-12-15)25-8-7-24(20(25)26)13-14-3-2-4-16(21)9-14/h2-6,9-12H,7-8,13H2,1H3,(H,22,23)
InChIKeyWGEUAXKQYVSRHY-UHFFFAOYSA-N
XLogP3.67
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(dimethylamino)ethyl-methylamino]-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 45380655
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 45381939
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 46947635
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68517263
1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68560854
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
1-(2-aminoethyl)-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68564802
1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 68566096
1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68566291
1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68566531
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68568011
1-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 70896888

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (CID 118239104) is 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is COc1cc(N2CCN(Cc3cccc(F)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The InChIKey is WGEUAXKQYVSRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-27-19-10-17(5-6-18(19)15-11-22-23-12-15)25-8-7-24(20(25)26)13-14-3-2-4-16(21)9-14/h2-6,9-12H,7-8,13H2,1H3,(H,22,23).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one has a molecular weight of 366.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 118239104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).