2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione

C163H178N14O18S — CID 157264552

IUPAC2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione
SMILESCC1=C(C)C(=O)C(CCCC2=Nc3ccc(C)cc3C2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCC2=Nc3ccccc3C2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCc2nc3ccccc3n2C)=C(C)C1=O.CC1=C(C)C(=O)C(CCCc2nc3ccccc3s2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2cccc2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2cccn2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2ccnc2)=C(C)C1=O.CC1=C(C)C(=O)C(CCn2c(C)nc3ccccc32)=C(C)C1=O.CC1=C(C)C(=O)C(CCn2cnc3ccccc32)=C(C)C1=O
InChIInChI=1S/C21H23NO2.C20H22N2O2.C20H21NO2.C19H20N2O2.C19H19NO2S.C18H18N2O2.C16H19NO2.2C15H18N2O2/c1-12-8-9-19-16(10-12)11-17(22-19)6-5-7-18-15(4)20(23)13(2)14(3)21(18)24;1-12-13(2)20(24)15(14(3)19(12)23)8-7-11-18-21-16-9-5-6-10-17(16)22(18)4;1-12-13(2)20(23)17(14(3)19(12)22)9-6-8-16-11-15-7-4-5-10-18(15)21-16;1-11-12(2)19(23)15(13(3)18(11)22)9-10-21-14(4)20-16-7-5-6-8-17(16)21;1-11-12(2)19(22)14(13(3)18(11)21)7-6-10-17-20-15-8-4-5-9-16(15)23-17;1-11-12(2)18(22)14(13(3)17(11)21)8-9-20-10-19-15-6-4-5-7-16(15)20;1-11-12(2)16(19)14(13(3)15(11)18)7-6-10-17-8-4-5-9-17;1-10-11(2)15(19)13(12(3)14(10)18)6-4-8-17-9-5-7-16-17;1-10-11(2)15(19)13(12(3)14(10)18)5-4-7-17-8-6-16-9-17/h8-10H,5-7,11H2,1-4H3;5-6,9-10H,7-8,11H2,1-4H3;4-5,7,10H,6,8-9,11H2,1-3H3;5-8H,9-10H2,1-4H3;4-5,8-9H,6-7,10H2,1-3H3;4-7,10H,8-9H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;5,7,9H,4,6,8H2,1-3H3;6,8-9H,4-5,7H2,1-3H3
InChIKeyAXVRINOVNSYJTN-UHFFFAOYSA-N
MW2653.36 g/mol
LogP31.79
Rot. Bonds34

About 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione

2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 157264552) has the molecular formula C163H178N14O18S and a molecular weight of 2653.36 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID157264552
Molecular FormulaC163H178N14O18S
Molecular Weight2653.36 g/mol
Exact Mass2651.32
IUPAC Name2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione
SMILESCC1=C(C)C(=O)C(CCCC2=Nc3ccc(C)cc3C2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCC2=Nc3ccccc3C2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCc2nc3ccccc3n2C)=C(C)C1=O.CC1=C(C)C(=O)C(CCCc2nc3ccccc3s2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2cccc2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2cccn2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2ccnc2)=C(C)C1=O.CC1=C(C)C(=O)C(CCn2c(C)nc3ccccc32)=C(C)C1=O.CC1=C(C)C(=O)C(CCn2cnc3ccccc32)=C(C)C1=O
InChIInChI=1S/C21H23NO2.C20H22N2O2.C20H21NO2.C19H20N2O2.C19H19NO2S.C18H18N2O2.C16H19NO2.2C15H18N2O2/c1-12-8-9-19-16(10-12)11-17(22-19)6-5-7-18-15(4)20(23)13(2)14(3)21(18)24;1-12-13(2)20(24)15(14(3)19(12)23)8-7-11-18-21-16-9-5-6-10-17(16)22(18)4;1-12-13(2)20(23)17(14(3)19(12)22)9-6-8-16-11-15-7-4-5-10-18(15)21-16;1-11-12(2)19(23)15(13(3)18(11)22)9-10-21-14(4)20-16-7-5-6-8-17(16)21;1-11-12(2)19(22)14(13(3)18(11)21)7-6-10-17-20-15-8-4-5-9-16(15)23-17;1-11-12(2)18(22)14(13(3)17(11)21)8-9-20-10-19-15-6-4-5-7-16(15)20;1-11-12(2)16(19)14(13(3)15(11)18)7-6-10-17-8-4-5-9-17;1-10-11(2)15(19)13(12(3)14(10)18)6-4-8-17-9-5-7-16-17;1-10-11(2)15(19)13(12(3)14(10)18)5-4-7-17-8-6-16-9-17/h8-10H,5-7,11H2,1-4H3;5-6,9-10H,7-8,11H2,1-4H3;4-5,7,10H,6,8-9,11H2,1-3H3;5-8H,9-10H2,1-4H3;4-5,8-9H,6-7,10H2,1-3H3;4-7,10H,8-9H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;5,7,9H,4,6,8H2,1-3H3;6,8-9H,4-5,7H2,1-3H3
InChIKeyAXVRINOVNSYJTN-UHFFFAOYSA-N
XLogP31.79
TPSA438.90 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002653.36
LogP ≤ 531.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione (CID 157264552) is 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione is CC1=C(C)C(=O)C(CCCC2=Nc3ccc(C)cc3C2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCC2=Nc3ccccc3C2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCc2nc3ccccc3n2C)=C(C)C1=O.CC1=C(C)C(=O)C(CCCc2nc3ccccc3s2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2cccc2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2cccn2)=C(C)C1=O.CC1=C(C)C(=O)C(CCCn2ccnc2)=C(C)C1=O.CC1=C(C)C(=O)C(CCn2c(C)nc3ccccc32)=C(C)C1=O.CC1=C(C)C(=O)C(CCn2cnc3ccccc32)=C(C)C1=O.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is AXVRINOVNSYJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2.C20H22N2O2.C20H21NO2.C19H20N2O2.C19H19NO2S.C18H18N2O2.C16H19NO2.2C15H18N2O2/c1-12-8-9-19-16(10-12)11-17(22-19)6-5-7-18-15(4)20(23)13(2)14(3)21(18)24;1-12-13(2)20(24)15(14(3)19(12)23)8-7-11-18-21-16-9-5-6-10-17(16)22(18)4;1-12-13(2)20(23)17(14(3)19(12)22)9-6-8-16-11-15-7-4-5-10-18(15)21-16;1-11-12(2)19(23)15(13(3)18(11)22)9-10-21-14(4)20-16-7-5-6-8-17(16)21;1-11-12(2)19(22)14(13(3)18(11)21)7-6-10-17-20-15-8-4-5-9-16(15)23-17;1-11-12(2)18(22)14(13(3)17(11)21)8-9-20-10-19-15-6-4-5-7-16(15)20;1-11-12(2)16(19)14(13(3)15(11)18)7-6-10-17-8-4-5-9-17;1-10-11(2)15(19)13(12(3)14(10)18)6-4-8-17-9-5-7-16-17;1-10-11(2)15(19)13(12(3)14(10)18)5-4-7-17-8-6-16-9-17/h8-10H,5-7,11H2,1-4H3;5-6,9-10H,7-8,11H2,1-4H3;4-5,7,10H,6,8-9,11H2,1-3H3;5-8H,9-10H2,1-4H3;4-5,8-9H,6-7,10H2,1-3H3;4-7,10H,8-9H2,1-3H3;4-5,8-9H,6-7,10H2,1-3H3;5,7,9H,4,6,8H2,1-3H3;6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione?
2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 2653.36 g/mol, XLogP of 31.79, 34 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(1,3-benzothiazol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3-imidazol-1-ylpropyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[3-(3H-indol-2-yl)propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(1-methylbenzimidazol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[3-(5-methyl-3H-indol-2-yl)propyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrazol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3-pyrrol-1-ylpropyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 157264552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).