1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen

C76H96FN15O3S2 — CID 159025918

IUPAC1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen
SMILESC.Cc1cc2ccccc2[nH]1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccccn1.Cc1ccncc1.Cc1nc(C(C)C)no1.Cc1nc2ccc(F)cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2s1.Cc1nccn1C.Cc1nccs1.Cc1noc(C)n1.[H][H]
InChIInChI=1S/C11H16O.C9H9N.C8H7FN2.C8H8N2.C8H7NS.C6H10N2O.2C6H7N.C5H8N2.C4H6N2O.C4H5NS.CH4.H2/c1-9-5-7-10(8-6-9)12-11(2,3)4;1-7-6-8-4-2-3-5-9(8)10-7;1-5-10-7-3-2-6(9)4-8(7)11-5;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4(2)6-7-5(3)9-8-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-3-5-4(2)7-6-3;1-4-5-2-3-6-4;;/h5-8H,1-4H3;2-6,10H,1H3;2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10);2-5H,1H3;4H,1-3H3;2*2-5H,1H3;3-4H,1-2H3;1-2H3;2-3H,1H3;1H4;1H
InChIKeyJUGXFUCDUHDXSI-UHFFFAOYSA-N
MW1350.84 g/mol
LogP20.17
Rot. Bonds2

About 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen

1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen (PubChem CID 159025918) has the molecular formula C76H96FN15O3S2 and a molecular weight of 1350.84 g/mol. Its IUPAC name is 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen.

Molecular Properties

Compound Name1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen
PubChem CID159025918
Molecular FormulaC76H96FN15O3S2
Molecular Weight1350.84 g/mol
Exact Mass1349.72
IUPAC Name1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen
SMILESC.Cc1cc2ccccc2[nH]1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccccn1.Cc1ccncc1.Cc1nc(C(C)C)no1.Cc1nc2ccc(F)cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2s1.Cc1nccn1C.Cc1nccs1.Cc1noc(C)n1.[H][H]
InChIInChI=1S/C11H16O.C9H9N.C8H7FN2.C8H8N2.C8H7NS.C6H10N2O.2C6H7N.C5H8N2.C4H6N2O.C4H5NS.CH4.H2/c1-9-5-7-10(8-6-9)12-11(2,3)4;1-7-6-8-4-2-3-5-9(8)10-7;1-5-10-7-3-2-6(9)4-8(7)11-5;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4(2)6-7-5(3)9-8-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-3-5-4(2)7-6-3;1-4-5-2-3-6-4;;/h5-8H,1-4H3;2-6,10H,1H3;2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10);2-5H,1H3;4H,1-3H3;2*2-5H,1H3;3-4H,1-2H3;1-2H3;2-3H,1H3;1H4;1H
InChIKeyJUGXFUCDUHDXSI-UHFFFAOYSA-N
XLogP20.17
TPSA229.60 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds2
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.84
LogP ≤ 520.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen 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

2,2-difluoro-N-[6-[[6-[2-[[6-[2-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-5-yl]-1-(1-methylimidazol-2-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-4-yl]-1-(1-methylimidazol-2-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]-2-phenoxyacetamide
CID 142401357
1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen
CID 160061918
1-[2-[(dimethylamino)methyl]phenyl]-3-[4-[2-[(8-phenyl-7H-purin-6-yl)amino]ethyl]phenyl]urea;1-[5-[2-[[2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea;1-(3-fluorophenyl)-3-[4-[2-[(8-phenyl-7H-purin-6-yl)amino]ethyl]phenyl]urea;1-phenyl-3-[4-[2-[(8-phenyl-7H-purin-6-yl)amino]ethyl]phenyl]urea;1-phenyl-3-[5-[2-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]-1,3-thiazol-2-yl]urea;1-[4-[2-[(8-phenyl-7H-purin-6-yl)amino]ethyl]phenyl]-3-pyridin-3-ylurea
CID 160320523
2,6-dimethyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;6-methyl-1,3-benzothiazole;6-methyl-3H-1,3-benzothiazol-2-one;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-2-phenylpyridine;2-(4-methylphenyl)pyrimidine;2-methylpyridine;3-methylpyridine
CID 161890287

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen?
The IUPAC name of 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen (CID 159025918) is 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen.
What is the SMILES notation for 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen?
The canonical SMILES for 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen is C.Cc1cc2ccccc2[nH]1.Cc1ccc(OC(C)(C)C)cc1.Cc1ccccn1.Cc1ccncc1.Cc1nc(C(C)C)no1.Cc1nc2ccc(F)cc2[nH]1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2s1.Cc1nccn1C.Cc1nccs1.Cc1noc(C)n1.[H][H].
What is the InChIKey of 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen?
The InChIKey is JUGXFUCDUHDXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C9H9N.C8H7FN2.C8H8N2.C8H7NS.C6H10N2O.2C6H7N.C5H8N2.C4H6N2O.C4H5NS.CH4.H2/c1-9-5-7-10(8-6-9)12-11(2,3)4;1-7-6-8-4-2-3-5-9(8)10-7;1-5-10-7-3-2-6(9)4-8(7)11-5;2*1-6-9-7-4-2-3-5-8(7)10-6;1-4(2)6-7-5(3)9-8-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-5-6-3-4-7(5)2;1-3-5-4(2)7-6-3;1-4-5-2-3-6-4;;/h5-8H,1-4H3;2-6,10H,1H3;2-4H,1H3,(H,10,11);2-5H,1H3,(H,9,10);2-5H,1H3;4H,1-3H3;2*2-5H,1H3;3-4H,1-2H3;1-2H3;2-3H,1H3;1H4;1H.
What are the key properties of 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen?
1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen has a molecular weight of 1350.84 g/mol, XLogP of 20.17, 2 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;6-fluoro-2-methyl-1H-benzimidazole;methane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1H-indole;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;molecular hydrogen is sourced from PubChem (CID 159025918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).