1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

C17H16F2N4O3 — CID 55831507

IUPAC1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESO=C(Nc1cccc(OC(F)F)c1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C17H16F2N4O3/c18-15(19)26-14-6-2-4-12(10-14)22-16(24)21-11-3-1-5-13(9-11)23-8-7-20-17(23)25/h1-6,9-10,15H,7-8H2,(H,20,25)(H2,21,22,24)
InChIKeyIWJXGQUZGOYOPP-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.46
Rot. Bonds5

About 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 55831507) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID55831507
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESO=C(Nc1cccc(OC(F)F)c1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C17H16F2N4O3/c18-15(19)26-14-6-2-4-12(10-14)22-16(24)21-11-3-1-5-13(9-11)23-8-7-20-17(23)25/h1-6,9-10,15H,7-8H2,(H,20,25)(H2,21,22,24)
InChIKeyIWJXGQUZGOYOPP-UHFFFAOYSA-N
XLogP3.46
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
1-(3-chlorophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 110874868
3,4-difluoro-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 110874016
N-[4-(difluoromethoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299065
(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 94123689
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 167757482
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 55831507) is 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is O=C(Nc1cccc(OC(F)F)c1)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is IWJXGQUZGOYOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c18-15(19)26-14-6-2-4-12(10-14)22-16(24)21-11-3-1-5-13(9-11)23-8-7-20-17(23)25/h1-6,9-10,15H,7-8H2,(H,20,25)(H2,21,22,24).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 362.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55831507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).