1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran

C46H65N3O2S — CID 158161375

IUPAC1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran
SMILESCC.CC.CC.CC.CC1Oc2ccccc2C1(C)C.Cc1nc2ccccc2n1C.Cc1nc2ccccc2s1.Cc1oc2ccccc2c1C
InChIInChI=1S/C11H14O.C10H10O.C9H10N2.C8H7NS.4C2H6/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-9-7-4-2-3-5-8(7)10-6;4*1-2/h4-8H,1-3H3;2*3-6H,1-2H3;2-5H,1H3;4*1-2H3
InChIKeyFWHUBGJHYDLVRC-UHFFFAOYSA-N
MW724.11 g/mol
LogP14.39
Rot. Bonds

About 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran

1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran (PubChem CID 158161375) has the molecular formula C46H65N3O2S and a molecular weight of 724.11 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran.

Molecular Properties

Compound Name1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran
PubChem CID158161375
Molecular FormulaC46H65N3O2S
Molecular Weight724.11 g/mol
Exact Mass723.48
IUPAC Name1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran
SMILESCC.CC.CC.CC.CC1Oc2ccccc2C1(C)C.Cc1nc2ccccc2n1C.Cc1nc2ccccc2s1.Cc1oc2ccccc2c1C
InChIInChI=1S/C11H14O.C10H10O.C9H10N2.C8H7NS.4C2H6/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-9-7-4-2-3-5-8(7)10-6;4*1-2/h4-8H,1-3H3;2*3-6H,1-2H3;2-5H,1H3;4*1-2H3
InChIKeyFWHUBGJHYDLVRC-UHFFFAOYSA-N
XLogP14.39
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.11
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-1-phenylbenzimidazole
CID 89948099
2-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-1-phenylbenzimidazole
CID 89948107
2-[3-(3-Dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)phenyl]-1-phenylbenzimidazole
CID 89948120
1-[3-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-2-phenylbenzimidazole
CID 89948134
1-[3-(3-Dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)phenyl]-2-phenylbenzimidazole
CID 89948161
2,9-Di(dibenzofuran-4-yl)benzimidazolo[2,1-b][1,3]benzothiazole
CID 117847229
4-Dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 117854915
2-Dibenzofuran-4-ylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 117854941
2-Dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 117854954
12-[6-[4-(4-Dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 117855513
4,7-Di(dibenzofuran-4-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425702
4,7-Di(dibenzofuran-2-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425714

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran?
The IUPAC name of 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran (CID 158161375) is 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran.
What is the SMILES notation for 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran?
The canonical SMILES for 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran is CC.CC.CC.CC.CC1Oc2ccccc2C1(C)C.Cc1nc2ccccc2n1C.Cc1nc2ccccc2s1.Cc1oc2ccccc2c1C.
What is the InChIKey of 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran?
The InChIKey is FWHUBGJHYDLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C10H10O.C9H10N2.C8H7NS.4C2H6/c1-8-11(2,3)9-6-4-5-7-10(9)12-8;1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-9-7-4-2-3-5-8(7)10-6;4*1-2/h4-8H,1-3H3;2*3-6H,1-2H3;2-5H,1H3;4*1-2H3.
What are the key properties of 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran?
1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran has a molecular weight of 724.11 g/mol, XLogP of 14.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzimidazole;2,3-dimethyl-1-benzofuran;ethane;2-methyl-1,3-benzothiazole;2,3,3-trimethyl-2H-1-benzofuran is sourced from PubChem (CID 158161375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).