1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide

C20H17ClF2N4O2 — CID 22285377

IUPAC1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H17ClF2N4O2/c21-13-1-4-15(5-2-13)27-12-18(20(28)25-26-7-9-29-10-8-26)24-19(27)16-6-3-14(22)11-17(16)23/h1-6,11-12H,7-10H2,(H,25,28)
InChIKeyCQTDJSPBEKEWIG-UHFFFAOYSA-N
MW418.83 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide (PubChem CID 22285377) has the molecular formula C20H17ClF2N4O2 and a molecular weight of 418.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide
PubChem CID22285377
Molecular FormulaC20H17ClF2N4O2
Molecular Weight418.83 g/mol
Exact Mass418.10
IUPAC Name1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H17ClF2N4O2/c21-13-1-4-15(5-2-13)27-12-18(20(28)25-26-7-9-29-10-8-26)24-19(27)16-6-3-14(22)11-17(16)23/h1-6,11-12H,7-10H2,(H,25,28)
InChIKeyCQTDJSPBEKEWIG-UHFFFAOYSA-N
XLogP3.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)-N-morpholin-4-ylimidazole-4-carboxamide
CID 22285405
1-(4-chlorophenyl)-2-(3-methylthiophen-2-yl)-N-piperidin-1-ylimidazole-4-carboxamide
CID 163932545
5-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-difluorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 25191856
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide
CID 11432444
2-bromo-1-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]ethanone
CID 86592993
2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide
CID 10173715
1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
CID 71456602
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide
CID 163957647
5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide
CID 83023895
2-fluoro-N-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 80710497
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
CID 10300161
2-(2-chlorophenyl)-1-(3-fluorophenyl)imidazole-4-carboxylic acid
CID 94946644

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide (CID 22285377) is 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide is O=C(NN1CCOCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide?
The InChIKey is CQTDJSPBEKEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O2/c21-13-1-4-15(5-2-13)27-12-18(20(28)25-26-7-9-29-10-8-26)24-19(27)16-6-3-14(22)11-17(16)23/h1-6,11-12H,7-10H2,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide has a molecular weight of 418.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-morpholin-4-ylimidazole-4-carboxamide is sourced from PubChem (CID 22285377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).