[4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole

C113H93Cl6N13O2S6 — CID 159686292

IUPAC[4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole
SMILESCCSc1nc2cc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc4c(c3)C=CC4)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc4c(ccn4C)c3)c(Cl)cc2[nH]1.CCSc1nc2cc(Cl)c(C#Cc3ccc(CO)cc3)cc2[nH]1.CCSc1nc2cc(Cl)c(C#Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C21H17ClN2OS.C21H17ClN2S.C18H16ClN3S.C18H15ClN2OS.C18H15ClN2S.C17H13ClN2S/c1-2-26-21-23-18-11-16(17(22)12-19(18)24-21)14-9-7-13(8-10-14)15-5-3-4-6-20(15)25;1-2-25-21-23-19-12-17(18(22)13-20(19)24-21)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-3-23-18-20-15-9-13(14(19)10-16(15)21-18)11-4-5-17-12(8-11)6-7-22(17)2;1-2-23-18-20-16-9-14(15(19)10-17(16)21-18)8-7-12-3-5-13(11-22)6-4-12;1-2-22-18-20-16-9-14(15(19)10-17(16)21-18)13-7-6-11-4-3-5-12(11)8-13;1-2-21-17-19-15-10-13(14(18)11-16(15)20-17)9-8-12-6-4-3-5-7-12/h3-12,25H,2H2,1H3,(H,23,24);3-13H,2H2,1H3,(H,23,24);4-10H,3H2,1-2H3,(H,20,21);3-6,9-10,22H,2,11H2,1H3,(H,20,21);3,5-10H,2,4H2,1H3,(H,20,21);3-7,10-11H,2H2,1H3,(H,19,20)
InChIKeyMVVMGDGLBQBGDK-UHFFFAOYSA-N
MW2070.20 g/mol
LogP33.03
Rot. Bonds19

About [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole

[4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole (PubChem CID 159686292) has the molecular formula C113H93Cl6N13O2S6 and a molecular weight of 2070.20 g/mol. Its IUPAC name is [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name[4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole
PubChem CID159686292
Molecular FormulaC113H93Cl6N13O2S6
Molecular Weight2070.20 g/mol
Exact Mass2065.40
IUPAC Name[4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole
SMILESCCSc1nc2cc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc4c(c3)C=CC4)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc4c(ccn4C)c3)c(Cl)cc2[nH]1.CCSc1nc2cc(Cl)c(C#Cc3ccc(CO)cc3)cc2[nH]1.CCSc1nc2cc(Cl)c(C#Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C21H17ClN2OS.C21H17ClN2S.C18H16ClN3S.C18H15ClN2OS.C18H15ClN2S.C17H13ClN2S/c1-2-26-21-23-18-11-16(17(22)12-19(18)24-21)14-9-7-13(8-10-14)15-5-3-4-6-20(15)25;1-2-25-21-23-19-12-17(18(22)13-20(19)24-21)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-3-23-18-20-15-9-13(14(19)10-16(15)21-18)11-4-5-17-12(8-11)6-7-22(17)2;1-2-23-18-20-16-9-14(15(19)10-17(16)21-18)8-7-12-3-5-13(11-22)6-4-12;1-2-22-18-20-16-9-14(15(19)10-17(16)21-18)13-7-6-11-4-3-5-12(11)8-13;1-2-21-17-19-15-10-13(14(18)11-16(15)20-17)9-8-12-6-4-3-5-7-12/h3-12,25H,2H2,1H3,(H,23,24);3-13H,2H2,1H3,(H,23,24);4-10H,3H2,1-2H3,(H,20,21);3-6,9-10,22H,2,11H2,1H3,(H,20,21);3,5-10H,2,4H2,1H3,(H,20,21);3-7,10-11H,2H2,1H3,(H,19,20)
InChIKeyMVVMGDGLBQBGDK-UHFFFAOYSA-N
XLogP33.03
TPSA217.47 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002070.20
LogP ≤ 533.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole with MolForge

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Related Compounds

6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole;2-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenol
CID 157439692
[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-3-fluorophenyl]methanol;[1-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]cyclopropyl]methanol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;[4-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenyl]methanol;methane
CID 158232654
6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]phenol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole
CID 158690216
2-[4-[6-chloro-2-(3-methylcyclobutyl)oxy-1H-benzimidazol-5-yl]phenyl]phenol;6-chloro-2-(3-methylcyclohexyl)oxy-5-(4-phenylphenyl)-1H-benzimidazole;6-chloro-2-(4-methylcyclohexyl)oxy-5-(4-phenylphenyl)-1H-benzimidazole;6-chloro-2-(3-methylcyclopentyl)oxy-5-(4-phenylphenyl)-1H-benzimidazole;5-(1-cyclopropylindol-5-yl)-4,6-difluoro-2-(4-methylcyclohexyl)oxy-1H-benzimidazole;4,6-difluoro-2-(4-methylcyclohexyl)oxy-5-(4-phenylphenyl)-1H-benzimidazole
CID 158694961
6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;6-chloro-2-(3,4-dimethylphenoxy)-5-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole;2-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenol
CID 159077364
6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole;2-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenol
CID 159110249
6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole;2-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenol
CID 159130473
6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]phenol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(1-methylindol-5-yl)-1H-benzimidazole
CID 159296534
6-chloro-5-(4-cyclopropylphenyl)-2-(3,4-dimethylphenoxy)-1H-benzimidazole;2-[5-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]-6-fluoroindol-1-yl]ethanol;2-[4-[6-chloro-2-(3,4-dimethylphenoxy)-1H-benzimidazol-5-yl]phenyl]propan-2-ol;5-chloro-2-(3,4-dimethylphenoxy)-6-[2-(2-fluorophenyl)ethynyl]-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-(3,4-dimethylphenoxy)-5-(4-phenylphenyl)-1H-benzimidazole;2-(3,4-dimethylphenoxy)-4,6-difluoro-5-(6-fluoro-1-methylindol-5-yl)-1H-benzimidazole;2-[4-[2-(3,4-dimethylphenoxy)-6-fluoro-1H-benzimidazol-5-yl]phenyl]phenol
CID 161726448
5-chloro-6-[2-(2,4-difluorophenyl)ethynyl]-2-ethylsulfanyl-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 161783586

Frequently Asked Questions

What is the IUPAC name of [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole?
The IUPAC name of [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole (CID 159686292) is [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole.
What is the SMILES notation for [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole?
The canonical SMILES for [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole is CCSc1nc2cc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc(-c4ccccc4O)cc3)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc4c(c3)C=CC4)c(Cl)cc2[nH]1.CCSc1nc2cc(-c3ccc4c(ccn4C)c3)c(Cl)cc2[nH]1.CCSc1nc2cc(Cl)c(C#Cc3ccc(CO)cc3)cc2[nH]1.CCSc1nc2cc(Cl)c(C#Cc3ccccc3)cc2[nH]1.
What is the InChIKey of [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole?
The InChIKey is MVVMGDGLBQBGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2OS.C21H17ClN2S.C18H16ClN3S.C18H15ClN2OS.C18H15ClN2S.C17H13ClN2S/c1-2-26-21-23-18-11-16(17(22)12-19(18)24-21)14-9-7-13(8-10-14)15-5-3-4-6-20(15)25;1-2-25-21-23-19-12-17(18(22)13-20(19)24-21)16-10-8-15(9-11-16)14-6-4-3-5-7-14;1-3-23-18-20-15-9-13(14(19)10-16(15)21-18)11-4-5-17-12(8-11)6-7-22(17)2;1-2-23-18-20-16-9-14(15(19)10-17(16)21-18)8-7-12-3-5-13(11-22)6-4-12;1-2-22-18-20-16-9-14(15(19)10-17(16)21-18)13-7-6-11-4-3-5-12(11)8-13;1-2-21-17-19-15-10-13(14(18)11-16(15)20-17)9-8-12-6-4-3-5-7-12/h3-12,25H,2H2,1H3,(H,23,24);3-13H,2H2,1H3,(H,23,24);4-10H,3H2,1-2H3,(H,20,21);3-6,9-10,22H,2,11H2,1H3,(H,20,21);3,5-10H,2,4H2,1H3,(H,20,21);3-7,10-11H,2H2,1H3,(H,19,20).
What are the key properties of [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole?
[4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole has a molecular weight of 2070.20 g/mol, XLogP of 33.03, 19 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(6-chloro-2-ethylsulfanyl-3H-benzimidazol-5-yl)ethynyl]phenyl]methanol;2-[4-(6-chloro-2-ethylsulfanyl-1H-benzimidazol-5-yl)phenyl]phenol;6-chloro-2-ethylsulfanyl-5-(1H-inden-5-yl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(1-methylindol-5-yl)-1H-benzimidazole;5-chloro-2-ethylsulfanyl-6-(2-phenylethynyl)-1H-benzimidazole;6-chloro-2-ethylsulfanyl-5-(4-phenylphenyl)-1H-benzimidazole is sourced from PubChem (CID 159686292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).