(4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid

C17H14Cl2N2O2S — CID 68568150

IUPAC(4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
SMILESCSC1=N[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2Cl)N1C(=O)O
InChIInChI=1S/C17H14Cl2N2O2S/c1-24-16-20-14(10-6-2-4-8-12(10)18)15(21(16)17(22)23)11-7-3-5-9-13(11)19/h2-9,14-15H,1H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyLMAJCWZLTIQOHP-LSDHHAIUSA-N
MW381.28 g/mol
LogP5.49
Rot. Bonds2

About (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid

(4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid (PubChem CID 68568150) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
PubChem CID68568150
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC Name(4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
SMILESCSC1=N[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2Cl)N1C(=O)O
InChIInChI=1S/C17H14Cl2N2O2S/c1-24-16-20-14(10-6-2-4-8-12(10)18)15(21(16)17(22)23)11-7-3-5-9-13(11)19/h2-9,14-15H,1H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyLMAJCWZLTIQOHP-LSDHHAIUSA-N
XLogP5.49
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.28
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-4,5-bis(2-fluorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
CID 68573241
4,5-Bis(2-fluorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
CID 68573244
(4R,5S)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
CID 68573602
4,5-Bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
CID 68573603
(4R,5S)-4,5-bis(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
CID 68608400
4,5-Bis(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid
CID 68608404
cis-4,5-bis-(2-Chlorophenyl)-2-methylthio-4,5-dihydro-1H-imidazole Hydroiodide
CID 68568074
(4R,5S)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 68568075
(4R,5S)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
CID 68568076
(4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 68568077
4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
CID 68568079
4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
CID 68568080

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid?
The IUPAC name of (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid (CID 68568150) is (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid.
What is the SMILES notation for (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid?
The canonical SMILES for (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid is CSC1=N[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2Cl)N1C(=O)O.
What is the InChIKey of (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid?
The InChIKey is LMAJCWZLTIQOHP-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c1-24-16-20-14(10-6-2-4-8-12(10)18)15(21(16)17(22)23)11-7-3-5-9-13(11)19/h2-9,14-15H,1H3,(H,22,23)/t14-,15+/m0/s1.
What are the key properties of (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid?
(4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid has a molecular weight of 381.28 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis(2-chlorophenyl)-2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylic acid is sourced from PubChem (CID 68568150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).