4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide

C16H12ClF2N3O — CID 18735297

IUPAC4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide
SMILESNC(=O)N1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F
InChIInChI=1S/C16H12ClF2N3O/c17-10-5-2-1-4-9(10)13-8-22(16(20)23)15(21-13)14-11(18)6-3-7-12(14)19/h1-7,13H,8H2,(H2,20,23)
InChIKeyJZUQKTVDMIQTBT-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.50
Rot. Bonds2

About 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide

4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide (PubChem CID 18735297) has the molecular formula C16H12ClF2N3O and a molecular weight of 335.74 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide
PubChem CID18735297
Molecular FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide
SMILESNC(=O)N1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F
InChIInChI=1S/C16H12ClF2N3O/c17-10-5-2-1-4-9(10)13-8-22(16(20)23)15(21-13)14-11(18)6-3-7-12(14)19/h1-7,13H,8H2,(H2,20,23)
InChIKeyJZUQKTVDMIQTBT-UHFFFAOYSA-N
XLogP3.50
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-bis(4-chlorophenyl)-N,N,2-triethyl-4,5-dihydroimidazole-1-carboxamide
CID 56680373
1-[(4-Chlorophenyl)methyl]-2-(2,6-difluorophenyl)-4,5-dihydroimidazole
CID 76330975
4-(2-Chlorophenyl)-2-(2,6-difluorophenyl)-1-isocyano-4,5-dihydroimidazole
CID 18735296
4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
CID 18735298
4-(2-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile
CID 22612688
5-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1H-imidazole
CID 22612691
4-Benzyl-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368835
4-[(2-Chloro-6-fluorophenyl)methyl]-3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368843
4-[(2-Chloro-4-fluorophenyl)methyl]-3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368870
3-[(2-Chloro-6-fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one
CID 135368871
3-(2-Chloro-6-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368887
3-[(2-Chloro-6-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-one
CID 135368967

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide (CID 18735297) is 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide is NC(=O)N1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F.
What is the InChIKey of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide?
The InChIKey is JZUQKTVDMIQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O/c17-10-5-2-1-4-9(10)13-8-22(16(20)23)15(21-13)14-11(18)6-3-7-12(14)19/h1-7,13H,8H2,(H2,20,23).
What are the key properties of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide?
4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide has a molecular weight of 335.74 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxamide is sourced from PubChem (CID 18735297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).