2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran

C38H41N3O2S — CID 158251982

IUPAC2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(C)O2.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1
InChIInChI=1S/C10H12O.C10H10O.C9H10N2.C9H9NS/c2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5,8H,6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3
InChIKeyGGVCWPGJKFMESY-UHFFFAOYSA-N
MW603.83 g/mol
LogP10.46
Rot. Bonds

About 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran

2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran (PubChem CID 158251982) has the molecular formula C38H41N3O2S and a molecular weight of 603.83 g/mol. Its IUPAC name is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran
PubChem CID158251982
Molecular FormulaC38H41N3O2S
Molecular Weight603.83 g/mol
Exact Mass603.29
IUPAC Name2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(C)O2.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1
InChIInChI=1S/C10H12O.C10H10O.C9H10N2.C9H9NS/c2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5,8H,6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3
InChIKeyGGVCWPGJKFMESY-UHFFFAOYSA-N
XLogP10.46
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.83
LogP ≤ 510.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;methane;molecular hydrogen
CID 159878728
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[4,5-f][1,3]benzothiazole;6-methyl-2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 157391428
(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1H-benzimidazol-2-yl)-5-phenylpyrrolidine-2,3-dione
CID 108599690
2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
CID 170127062
CID 158976024
CID 158976024
6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671564
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
2,5-dimethyl-1-benzofuran;1,2,6,7-tetramethyl-2,3-dihydro-1H-indene
CID 171500822
N-(6-methyl-1,3-benzothiazol-2-yl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide
CID 42278821
2-methyl-7-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136763937
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylthiophen-2-yl)methanamine
CID 43384519

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran (CID 158251982) is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CC(C)O2.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.
What is the InChIKey of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is GGVCWPGJKFMESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C10H10O.C9H10N2.C9H9NS/c2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5,8H,6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3.
What are the key properties of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran?
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 603.83 g/mol, XLogP of 10.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 158251982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).