2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid

C87H69Cl5F6N10O10S5 — CID 157443821

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid
SMILESCc1ccc(-n2c(C(=O)O)cnc2SCc2c(F)cccc2Cl)cc1.Cc1ccccc1CSc1ncc(C(=O)O)n1-c1ccc(F)cc1.O=C(O)c1cnc(SCc2c(Cl)cccc2Cl)n1-c1ccc(F)cc1.O=C(O)c1cnc(SCc2c(F)cccc2Cl)n1-c1cccc(F)c1.O=C(O)c1cnc(SCc2c(F)cccc2Cl)n1C1CCCCC1
InChIInChI=1S/C18H14ClFN2O2S.C18H15FN2O2S.C17H11Cl2FN2O2S.C17H11ClF2N2O2S.C17H18ClFN2O2S/c1-11-5-7-12(8-6-11)22-16(17(23)24)9-21-18(22)25-10-13-14(19)3-2-4-15(13)20;1-12-4-2-3-5-13(12)11-24-18-20-10-16(17(22)23)21(18)15-8-6-14(19)7-9-15;18-13-2-1-3-14(19)12(13)9-25-17-21-8-15(16(23)24)22(17)11-6-4-10(20)5-7-11;18-13-5-2-6-14(20)12(13)9-25-17-21-8-15(16(23)24)22(17)11-4-1-3-10(19)7-11;18-13-7-4-8-14(19)12(13)10-24-17-20-9-15(16(22)23)21(17)11-5-2-1-3-6-11/h2-9H,10H2,1H3,(H,23,24);2-10H,11H2,1H3,(H,22,23);2*1-8H,9H2,(H,23,24);4,7-9,11H,1-3,5-6,10H2,(H,22,23)
InChIKeyBRZHRMLQRUKUAN-UHFFFAOYSA-N
MW1866.16 g/mol
LogP24.55
Rot. Bonds25

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid (PubChem CID 157443821) has the molecular formula C87H69Cl5F6N10O10S5 and a molecular weight of 1866.16 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid
PubChem CID157443821
Molecular FormulaC87H69Cl5F6N10O10S5
Molecular Weight1866.16 g/mol
Exact Mass1862.21
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid
SMILESCc1ccc(-n2c(C(=O)O)cnc2SCc2c(F)cccc2Cl)cc1.Cc1ccccc1CSc1ncc(C(=O)O)n1-c1ccc(F)cc1.O=C(O)c1cnc(SCc2c(Cl)cccc2Cl)n1-c1ccc(F)cc1.O=C(O)c1cnc(SCc2c(F)cccc2Cl)n1-c1cccc(F)c1.O=C(O)c1cnc(SCc2c(F)cccc2Cl)n1C1CCCCC1
InChIInChI=1S/C18H14ClFN2O2S.C18H15FN2O2S.C17H11Cl2FN2O2S.C17H11ClF2N2O2S.C17H18ClFN2O2S/c1-11-5-7-12(8-6-11)22-16(17(23)24)9-21-18(22)25-10-13-14(19)3-2-4-15(13)20;1-12-4-2-3-5-13(12)11-24-18-20-10-16(17(22)23)21(18)15-8-6-14(19)7-9-15;18-13-2-1-3-14(19)12(13)9-25-17-21-8-15(16(23)24)22(17)11-6-4-10(20)5-7-11;18-13-5-2-6-14(20)12(13)9-25-17-21-8-15(16(23)24)22(17)11-4-1-3-10(19)7-11;18-13-7-4-8-14(19)12(13)10-24-17-20-9-15(16(22)23)21(17)11-5-2-1-3-6-11/h2-9H,10H2,1H3,(H,23,24);2-10H,11H2,1H3,(H,22,23);2*1-8H,9H2,(H,23,24);4,7-9,11H,1-3,5-6,10H2,(H,22,23)
InChIKeyBRZHRMLQRUKUAN-UHFFFAOYSA-N
XLogP24.55
TPSA275.60 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001866.16
LogP ≤ 524.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid with MolForge

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Related Compounds

2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethylphenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-phenylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid;2-[(2,6-dimethylphenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid
CID 157814853
2-[2-(3-Chloro-4-fluorophenyl)ethylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-[2-(3-chloro-4-fluorophenyl)ethylsulfonyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-(cyclopropylmethylsulfanyl)-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-(2-methylpropylsulfanyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-(3,3,3-trifluoro-2,2-dihydroxypropyl)sulfanylimidazole-4-carboxylic acid
CID 160007901
2-(2-Chloro-6-fluorophenyl)-1-methylimidazole-4-carboxylic acid;2-(2,6-dichlorophenyl)-1-methylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxylic acid;1-methyl-2-(2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-methyl-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
CID 160041146
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-(2,2-dimethylpropyl)imidazole-4-carboxylic acid;2-[(2-cyanophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[[2-fluoro-6-(trifluoromethyl)phenyl]methylsulfanyl]imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole-4-carboxylic acid
CID 160146069
2-(2-Chloro-6-fluorophenyl)-1-methylimidazole-4-carboxylic acid;2-(2,6-dichlorophenyl)-1-methylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxylic acid;1-methyl-2-(2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-methyl-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid;1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxylic acid
CID 160411279
2-[[4-Chloro-2-(trifluoromethyl)phenyl]methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-[(2,5-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-fluoro-3-methylphenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[[5-methyl-2-(trifluoromethyl)phenyl]methylsulfanyl]imidazole-4-carboxylic acid
CID 160772930
2-[(2-Chloro-4,5-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluoro-3-methylphenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-5-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-[(5-chloro-2-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2,3,5-trifluorophenyl)methylsulfanyl]imidazole-4-carboxylic acid
CID 157107261
4-Chloro-1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole;4-chloro-1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)imidazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole
CID 158406132
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-(4-chlorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid;2-(2,2-dimethylpropylsulfanyl)-3-(4-fluorophenyl)imidazole-4-carboxylic acid
CID 159905395
N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;N-methyl-1-phenylmethanamine
CID 160530039
5-Chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;1-methyl-2-(2,4,6-trifluorophenyl)imidazole-4-carboxylic acid
CID 161796838

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid (CID 157443821) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid is Cc1ccc(-n2c(C(=O)O)cnc2SCc2c(F)cccc2Cl)cc1.Cc1ccccc1CSc1ncc(C(=O)O)n1-c1ccc(F)cc1.O=C(O)c1cnc(SCc2c(Cl)cccc2Cl)n1-c1ccc(F)cc1.O=C(O)c1cnc(SCc2c(F)cccc2Cl)n1-c1cccc(F)c1.O=C(O)c1cnc(SCc2c(F)cccc2Cl)n1C1CCCCC1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid?
The InChIKey is BRZHRMLQRUKUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S.C18H15FN2O2S.C17H11Cl2FN2O2S.C17H11ClF2N2O2S.C17H18ClFN2O2S/c1-11-5-7-12(8-6-11)22-16(17(23)24)9-21-18(22)25-10-13-14(19)3-2-4-15(13)20;1-12-4-2-3-5-13(12)11-24-18-20-10-16(17(22)23)21(18)15-8-6-14(19)7-9-15;18-13-2-1-3-14(19)12(13)9-25-17-21-8-15(16(23)24)22(17)11-6-4-10(20)5-7-11;18-13-5-2-6-14(20)12(13)9-25-17-21-8-15(16(23)24)22(17)11-4-1-3-10(19)7-11;18-13-7-4-8-14(19)12(13)10-24-17-20-9-15(16(22)23)21(17)11-5-2-1-3-6-11/h2-9H,10H2,1H3,(H,23,24);2-10H,11H2,1H3,(H,22,23);2*1-8H,9H2,(H,23,24);4,7-9,11H,1-3,5-6,10H2,(H,22,23).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid has a molecular weight of 1866.16 g/mol, XLogP of 24.55, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclohexylimidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-fluorophenyl)imidazole-4-carboxylic acid;2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methylphenyl)imidazole-4-carboxylic acid;2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(4-fluorophenyl)imidazole-4-carboxylic acid;3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 157443821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).