2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde

C17H12F4N2O3 — CID 177175945

IUPAC2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCN(c3ccc(F)cc3F)C2=O)cc1OC(F)F
InChIInChI=1S/C17H12F4N2O3/c18-11-2-4-14(13(19)7-11)23-6-5-22(17(23)25)12-3-1-10(9-24)15(8-12)26-16(20)21/h1-4,7-9,16H,5-6H2
InChIKeyBEWZLYAVJXJWKC-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.83
Rot. Bonds5

About 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde

2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde (PubChem CID 177175945) has the molecular formula C17H12F4N2O3 and a molecular weight of 368.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde
PubChem CID177175945
Molecular FormulaC17H12F4N2O3
Molecular Weight368.29 g/mol
Exact Mass368.08
IUPAC Name2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde
SMILESO=Cc1ccc(N2CCN(c3ccc(F)cc3F)C2=O)cc1OC(F)F
InChIInChI=1S/C17H12F4N2O3/c18-11-2-4-14(13(19)7-11)23-6-5-22(17(23)25)12-3-1-10(9-24)15(8-12)26-16(20)21/h1-4,7-9,16H,5-6H2
InChIKeyBEWZLYAVJXJWKC-UHFFFAOYSA-N
XLogP3.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(Isoindolin-2-yl)-2-methoxybenzaldehyde
CID 806545
2-Methoxy-4-pyrrolidin-1-yl-benzaldehyde
CID 977702
N-(2-Diethylamino-ethyl)-2-methoxy-4-[3-(4-trifluoromethoxy-phenyl)-ureido]-benzamide
CID 10434776
N-(2-Diethylamino-ethyl)-2-methoxy-4-[3-(4-trifluoromethyl-phenyl)-ureido]-benzamide
CID 44394959
1-(5-Fluoro-9-oxoxanthen-3-yl)pyrrolidin-2-one
CID 132186259
Ioflubenzamide (131I)
CID 24828760
4-[3-(4-Cyano-phenyl)-ureido]-N-(2-diethylamino-ethyl)-2-methoxy-benzamide
CID 44394925
N-(2-Diethylamino-ethyl)-2-methoxy-4-[3-(3-trifluoromethoxy-phenyl)-ureido]-benzamide
CID 44394972
US10815215, Example 111
CID 134469887
US10815215, Example 93
CID 134469942
US10815215, Example 103
CID 134470083
N-(2-Diethylamino-ethyl)-2-methoxy-4-[3-(3-trifluoromethyl-phenyl)-ureido]-benzamide
CID 44394931

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde?
The IUPAC name of 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde (CID 177175945) is 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde.
What is the SMILES notation for 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde?
The canonical SMILES for 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde is O=Cc1ccc(N2CCN(c3ccc(F)cc3F)C2=O)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde?
The InChIKey is BEWZLYAVJXJWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O3/c18-11-2-4-14(13(19)7-11)23-6-5-22(17(23)25)12-3-1-10(9-24)15(8-12)26-16(20)21/h1-4,7-9,16H,5-6H2.
What are the key properties of 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde?
2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde has a molecular weight of 368.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-[3-(2,4-difluorophenyl)-2-oxoimidazolidin-1-yl]benzaldehyde is sourced from PubChem (CID 177175945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).