5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane

C131H182N14O2S2 — CID 161360007

IUPAC5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane
SMILESC.C.C.Cc1c(C(C)(C)C)sc2ccccc12.Cc1cc2cc(C(C)(C)C)ccc2o1.Cc1cc2cc(C(C)(C)C)ccc2s1.Cc1cc2nc(C)c(C(C)(C)C)n2cc1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccccc2n1C(C)(C)C.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H20N2.C13H18N2O.2C13H18N2.C13H16O.2C13H16S.3C12H16N2.3CH4/c1-9-7-12-15-11(3)13(14(4,5)6)16(12)8-10(9)2;1-13(2,3)9-6-7-10-11(8-9)15(5)12(16)14(10)4;1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;2*1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;;;/h7-8H,1-6H3;6-8H,1-5H3;2*6-8H,1-5H3;6*5-8H,1-4H3;3*1H4
InChIKeyVPAYHXBVCKHXFN-UHFFFAOYSA-N
MW2049.13 g/mol
LogP35.89
Rot. Bonds

About 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane

5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane (PubChem CID 161360007) has the molecular formula C131H182N14O2S2 and a molecular weight of 2049.13 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane.

Molecular Properties

Compound Name5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane
PubChem CID161360007
Molecular FormulaC131H182N14O2S2
Molecular Weight2049.13 g/mol
Exact Mass2047.40
IUPAC Name5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane
SMILESC.C.C.Cc1c(C(C)(C)C)sc2ccccc12.Cc1cc2cc(C(C)(C)C)ccc2o1.Cc1cc2cc(C(C)(C)C)ccc2s1.Cc1cc2nc(C)c(C(C)(C)C)n2cc1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccccc2n1C(C)(C)C.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H20N2.C13H18N2O.2C13H18N2.C13H16O.2C13H16S.3C12H16N2.3CH4/c1-9-7-12-15-11(3)13(14(4,5)6)16(12)8-10(9)2;1-13(2,3)9-6-7-10-11(8-9)15(5)12(16)14(10)4;1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;2*1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;;;/h7-8H,1-6H3;6-8H,1-5H3;2*6-8H,1-5H3;6*5-8H,1-4H3;3*1H4
InChIKeyVPAYHXBVCKHXFN-UHFFFAOYSA-N
XLogP35.89
TPSA146.47 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002049.13
LogP ≤ 535.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane?
The IUPAC name of 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane (CID 161360007) is 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane.
What is the SMILES notation for 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane?
The canonical SMILES for 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane is C.C.C.Cc1c(C(C)(C)C)sc2ccccc12.Cc1cc2cc(C(C)(C)C)ccc2o1.Cc1cc2cc(C(C)(C)C)ccc2s1.Cc1cc2nc(C)c(C(C)(C)C)n2cc1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccccc2n1C(C)(C)C.Cn1c(=O)n(C)c2cc(C(C)(C)C)ccc21.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ncc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane?
The InChIKey is VPAYHXBVCKHXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C13H18N2O.2C13H18N2.C13H16O.2C13H16S.3C12H16N2.3CH4/c1-9-7-12-15-11(3)13(14(4,5)6)16(12)8-10(9)2;1-13(2,3)9-6-7-10-11(8-9)15(5)12(16)14(10)4;1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;2*1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;;;/h7-8H,1-6H3;6-8H,1-5H3;2*6-8H,1-5H3;6*5-8H,1-4H3;3*1H4.
What are the key properties of 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane?
5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane has a molecular weight of 2049.13 g/mol, XLogP of 35.89, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;5-tert-butyl-1,3-dimethylbenzimidazol-2-one;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1-benzofuran;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-2-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine;methane is sourced from PubChem (CID 161360007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).