1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole

C67H105N11S2 — CID 160788882

IUPAC1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccs1
InChIInChI=1S/C9H10N2.C8H8N2.C8H7NS.3C6H7N.C4H6N2.C4H5NS.8C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-4-5-2-3-6-4;8*1-2/h3-6H,1-2H3;2-5H,1H3,(H,9,10);2-5H,1H3;3*2-5H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3;8*1-2H3
InChIKeySBOSBPYDZFTDHC-UHFFFAOYSA-N
MW1128.79 g/mol
LogP20.91
Rot. Bonds

About 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole

1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole (PubChem CID 160788882) has the molecular formula C67H105N11S2 and a molecular weight of 1128.79 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole
PubChem CID160788882
Molecular FormulaC67H105N11S2
Molecular Weight1128.79 g/mol
Exact Mass1127.80
IUPAC Name1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccs1
InChIInChI=1S/C9H10N2.C8H8N2.C8H7NS.3C6H7N.C4H6N2.C4H5NS.8C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-4-5-2-3-6-4;8*1-2/h3-6H,1-2H3;2-5H,1H3,(H,9,10);2-5H,1H3;3*2-5H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3;8*1-2H3
InChIKeySBOSBPYDZFTDHC-UHFFFAOYSA-N
XLogP20.91
TPSA139.63 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.79
LogP ≤ 520.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole?
The IUPAC name of 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole (CID 160788882) is 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole.
What is the SMILES notation for 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole?
The canonical SMILES for 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1C.Cc1nc2ccccc2s1.Cc1ncc[nH]1.Cc1nccs1.
What is the InChIKey of 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole?
The InChIKey is SBOSBPYDZFTDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C8H8N2.C8H7NS.3C6H7N.C4H6N2.C4H5NS.8C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*1-4-5-2-3-6-4;8*1-2/h3-6H,1-2H3;2-5H,1H3,(H,9,10);2-5H,1H3;3*2-5H,1H3;2-3H,1H3,(H,5,6);2-3H,1H3;8*1-2H3.
What are the key properties of 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole?
1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole has a molecular weight of 1128.79 g/mol, XLogP of 20.91, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzimidazole;ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole is sourced from PubChem (CID 160788882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).