1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole

C70H109N17OS — CID 159496902

IUPAC1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C.Cc1nc2ncccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C
InChIInChI=1S/3C9H10N2.2C8H9N3.C5H9N3.C4H5NO.C4H5NS.7C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-7(2)11-5-3-4-9-8(11)10-6;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;7*1-2/h3*3-6H,1-2H3;2*3-5H,1-2H3;1-3H3;2*2-3H,1H3;7*1-2H3
InChIKeyLYWYMAKQCPPQEV-UHFFFAOYSA-N
MW1236.83 g/mol
LogP18.53
Rot. Bonds

About 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole

1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole (PubChem CID 159496902) has the molecular formula C70H109N17OS and a molecular weight of 1236.83 g/mol. Its IUPAC name is 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
PubChem CID159496902
Molecular FormulaC70H109N17OS
Molecular Weight1236.83 g/mol
Exact Mass1235.87
IUPAC Name1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C.Cc1nc2ncccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C
InChIInChI=1S/3C9H10N2.2C8H9N3.C5H9N3.C4H5NO.C4H5NS.7C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-7(2)11-5-3-4-9-8(11)10-6;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;7*1-2/h3*3-6H,1-2H3;2*3-5H,1-2H3;1-3H3;2*2-3H,1H3;7*1-2H3
InChIKeyLYWYMAKQCPPQEV-UHFFFAOYSA-N
XLogP18.53
TPSA182.43 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001236.83
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157331122
CID 157331122
CID 161280549
CID 161280549
2-[2-(1H-benzimidazol-2-yl)-8-(1,3-benzothiazol-2-yl)-4-(1H-imidazol-2-yl)-1-pyrazin-2-yl-9-(1H-pyrazol-5-yl)-6-pyridazin-3-yl-3-pyrimidin-2-ylpurin-2-yl]-1,3-oxazole
CID 141157870
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157077798
Bis(2-methyl-1,3-oxazole);bis(1-methylpyrazole);2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 157293237
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-3H-imidazo[4,5-b]pyrazine;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;2,8-dimethyl-7H-purine;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane
CID 157422107
1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
CID 157457971
CID 157525435
CID 157525435
bis(2,6-dimethyl-1H-benzimidazole);bis(2,5-dimethyl-3H-imidazo[4,5-b]pyrazine);bis(2,5-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-1H-imidazo[4,5-b]pyridine);bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);tetrakis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,8-dimethyl-7H-purine);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1H-1,2,4-triazole);methane
CID 157673150
3-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 157784780
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;bis(2,6-dimethyl-3H-imidazo[4,5-c]pyridine);2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
CID 157878752
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158053582

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The IUPAC name of 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole (CID 159496902) is 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole.
What is the SMILES notation for 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The canonical SMILES for 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.Cc1nc2ccccc2n1C.Cc1nc2ccccn2c1C.Cc1nc2ccccn2c1C.Cc1nc2ncccn2c1C.Cc1nc2ncccn2c1C.Cc1ncco1.Cc1nccs1.Cc1nnc(C)n1C.
What is the InChIKey of 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
The InChIKey is LYWYMAKQCPPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H10N2.2C8H9N3.C5H9N3.C4H5NO.C4H5NS.7C2H6/c1-7-10-8-5-3-4-6-9(8)11(7)2;2*1-7-8(2)11-6-4-3-5-9(11)10-7;2*1-6-7(2)11-5-3-4-9-8(11)10-6;1-4-6-7-5(2)8(4)3;2*1-4-5-2-3-6-4;7*1-2/h3*3-6H,1-2H3;2*3-5H,1-2H3;1-3H3;2*2-3H,1H3;7*1-2H3.
What are the key properties of 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole?
1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1236.83 g/mol, XLogP of 18.53, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylbenzimidazole;bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 159496902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).