2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole — IUPAC name, SMILES, InChIKey & properties

Name: 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole

2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole (PubChem CID 157317311) has the molecular formula C142H149N15O4S4 and a molecular weight of 2258.12 g/mol. Its IUPAC name is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole.

Molecular Properties

Compound Name	2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole
PubChem CID	157317311
Molecular Formula	C142H149N15O4S4
Molecular Weight	2258.12 g/mol
Exact Mass	2256.08
IUPAC Name	2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole
SMILES	CC1=Cc2ccc(C)cc2C1.CC1=Nc2ccc(C)cc2C1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cn(C)nc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2nn(C)cc2c1.Cc1ccc2nn(C)nc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)cc2c1.Cc1ccc2sc(C)nc2c1
InChI	InChI=1S/C11H12.2C10H11N.2C10H10O.2C10H10S.3C9H10N2.2C9H9NO.2C9H9NS.C8H9N3/c1-8-3-4-10-6-9(2)7-11(10)5-8;31-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-9-8(5-7)6-11(2)10-9;1-7-3-4-8-6-11(2)10-9(8)5-7;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;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;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-7-8(5-6)10-11(2)9-7/h3-6H,7H2,1-2H3;3-5H,6H2,1-2H3;3-6,11H,1-2H3;63-6H,1-2H3;3-5H,1-2H3,(H,10,11);5*3-5H,1-2H3
InChIKey	BDTIPMYKXSBCSN-UHFFFAOYSA-N
XLogP	39.45
TPSA	227.30 Å²
H-Bond Donors	2
H-Bond Acceptors	21
Rotatable Bonds
Heavy Atoms	165
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.12
LogP ≤ 5	39.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Analyze 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole?

The IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole (CID 157317311) is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole.

What is the SMILES notation for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole?

The canonical SMILES for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole is CC1=Cc2ccc(C)cc2C1.CC1=Nc2ccc(C)cc2C1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cc(C)sc2c1.Cc1ccc2cn(C)nc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2nc(C)sc2c1.Cc1ccc2nn(C)cc2c1.Cc1ccc2nn(C)nc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2oc(C)nc2c1.Cc1ccc2sc(C)cc2c1.Cc1ccc2sc(C)nc2c1.

What is the InChIKey of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole?

The InChIKey is BDTIPMYKXSBCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.2C10H11N.2C10H10O.2C10H10S.3C9H10N2.2C9H9NO.2C9H9NS.C8H9N3/c1-8-3-4-10-6-9(2)7-11(10)5-8;3*1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-6-8(2)11-10(9)5-7;1-7-3-4-9-8(5-7)6-11(2)10-9;1-7-3-4-8-6-11(2)10-9(8)5-7;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;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;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-7-8(5-6)10-11(2)9-7/h3-6H,7H2,1-2H3;3-5H,6H2,1-2H3;3-6,11H,1-2H3;6*3-6H,1-2H3;3-5H,1-2H3,(H,10,11);5*3-5H,1-2H3.

What are the key properties of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole?

Where does this data come from?

All data for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethylbenzotriazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethylindazole;2,6-dimethylindazole;2,6-dimethyl-1H-indene;2,5-dimethyl-1H-indole;2,5-dimethyl-3H-indole is sourced from PubChem (CID 157317311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).