1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

C18H19FN4O3 — CID 55738407

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H19FN4O3/c19-13-6-4-12(5-7-13)16(24)11-21-17(25)22-14-2-1-3-15(10-14)23-9-8-20-18(23)26/h1-7,10,16,24H,8-9,11H2,(H,20,26)(H2,21,22,25)
InChIKeyPOVRHRRMFQFFCC-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.21
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 55738407) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID55738407
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESO=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C18H19FN4O3/c19-13-6-4-12(5-7-13)16(24)11-21-17(25)22-14-2-1-3-15(10-14)23-9-8-20-18(23)26/h1-7,10,16,24H,8-9,11H2,(H,20,26)(H2,21,22,25)
InChIKeyPOVRHRRMFQFFCC-UHFFFAOYSA-N
XLogP2.21
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837879
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738090
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 95904318
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55831507
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-[2-(4-aminophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)urea
CID 61030478
1-(furan-3-ylmethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47039430
1-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 55746140
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55851280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 55738407) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is O=C(NCC(O)c1ccc(F)cc1)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is POVRHRRMFQFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-13-6-4-12(5-7-13)16(24)11-21-17(25)22-14-2-1-3-15(10-14)23-9-8-20-18(23)26/h1-7,10,16,24H,8-9,11H2,(H,20,26)(H2,21,22,25).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 358.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55738407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).