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

C16H10ClF2N3 — CID 22612688

IUPAC4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile
SMILESN#CN1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F
InChIInChI=1S/C16H10ClF2N3/c17-11-5-2-1-4-10(11)14-8-22(9-20)16(21-14)15-12(18)6-3-7-13(15)19/h1-7,14H,8H2
InChIKeyXOWVNGZRTLASJZ-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.90
Rot. Bonds2

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

4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile (PubChem CID 22612688) has the molecular formula C16H10ClF2N3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile
PubChem CID22612688
Molecular FormulaC16H10ClF2N3
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Name4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile
SMILESN#CN1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F
InChIInChI=1S/C16H10ClF2N3/c17-11-5-2-1-4-10(11)14-8-22(9-20)16(21-14)15-12(18)6-3-7-13(15)19/h1-7,14H,8H2
InChIKeyXOWVNGZRTLASJZ-UHFFFAOYSA-N
XLogP3.90
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44573408
5-(2-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10378954
2-(2-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazole
CID 44269138
1H-Imidazole, 4,5-dihydro-1-((4-chlorophenyl)methyl)-2-phenyl-, monohydrochloride
CID 3042993
(4S,5R)-2,4,5-tris(2-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 12139017
2-(4-Fluorophenyl)-1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole
CID 46196874
1-[(4-Chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole
CID 3042994
1-[(2,6-Dichlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole
CID 76312865
1-Benzyl-2-(3-chlorophenyl)-4,5-dihydroimidazole
CID 76323729
1-Benzyl-2-(4-chlorophenyl)-4,5-dihydroimidazole
CID 76323730
1-Benzyl-2-(2,6-difluorophenyl)-4,5-dihydroimidazole
CID 76327310
1-[(2-Chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole
CID 76327311

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile (CID 22612688) is 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile is N#CN1CC(c2ccccc2Cl)N=C1c1c(F)cccc1F.
What is the InChIKey of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile?
The InChIKey is XOWVNGZRTLASJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3/c17-11-5-2-1-4-10(11)14-8-22(9-20)16(21-14)15-12(18)6-3-7-13(15)19/h1-7,14H,8H2.
What are the key properties of 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile?
4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile has a molecular weight of 317.73 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carbonitrile is sourced from PubChem (CID 22612688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).