2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one

C16H11Cl2FN2O — CID 67762326

IUPAC2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one
SMILESCC1(c2ccc(Cl)cc2)N=C(c2c(F)cccc2Cl)NC1=O
InChIInChI=1S/C16H11Cl2FN2O/c1-16(9-5-7-10(17)8-6-9)15(22)20-14(21-16)13-11(18)3-2-4-12(13)19/h2-8H,1H3,(H,20,21,22)
InChIKeyFAONIUKUNFYGTB-UHFFFAOYSA-N
MW337.18 g/mol
LogP3.92
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one

2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one (PubChem CID 67762326) has the molecular formula C16H11Cl2FN2O and a molecular weight of 337.18 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one
PubChem CID67762326
Molecular FormulaC16H11Cl2FN2O
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one
SMILESCC1(c2ccc(Cl)cc2)N=C(c2c(F)cccc2Cl)NC1=O
InChIInChI=1S/C16H11Cl2FN2O/c1-16(9-5-7-10(17)8-6-9)15(22)20-14(21-16)13-11(18)3-2-4-12(13)19/h2-8H,1H3,(H,20,21,22)
InChIKeyFAONIUKUNFYGTB-UHFFFAOYSA-N
XLogP3.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one (CID 67762326) is 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one is CC1(c2ccc(Cl)cc2)N=C(c2c(F)cccc2Cl)NC1=O.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one?
The InChIKey is FAONIUKUNFYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O/c1-16(9-5-7-10(17)8-6-9)15(22)20-14(21-16)13-11(18)3-2-4-12(13)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one?
2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one has a molecular weight of 337.18 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-(4-chlorophenyl)-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 67762326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).