methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate

C61H61N7O5S2 — CID 158129078

IUPACmethane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate
SMILESC.COC(=O)c1cc(C)c2ocnc2c1.Cc1ccc2nc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1OCC2.Cc1cccc2ncoc12.Cc1cccc2ncsc12.Cc1cccc2scnc12
InChIInChI=1S/C10H9NO3.C9H9N.C9H10O.C8H8N2.C8H7NO.2C8H7NS.CH4/c1-6-3-7(10(12)13-2)4-8-9(6)14-5-11-8;1-7-3-2-4-9-8(7)5-6-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7;1-6-3-2-4-7-8(6)9-5-10-7;1-6-3-2-4-7-8(6)10-5-9-7;/h3-5H,1-2H3;2-6,10H,1H3;2-4H,5-6H2,1H3;2-5H,1H3,(H,9,10);3*2-5H,1H3;1H4
InChIKeyFSNVMJJXULXNNS-UHFFFAOYSA-N
MW1036.34 g/mol
LogP16.18
Rot. Bonds1

About methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate

methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate (PubChem CID 158129078) has the molecular formula C61H61N7O5S2 and a molecular weight of 1036.34 g/mol. Its IUPAC name is methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate.

Molecular Properties

Compound Namemethane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate
PubChem CID158129078
Molecular FormulaC61H61N7O5S2
Molecular Weight1036.34 g/mol
Exact Mass1035.42
IUPAC Namemethane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate
SMILESC.COC(=O)c1cc(C)c2ocnc2c1.Cc1ccc2nc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1OCC2.Cc1cccc2ncoc12.Cc1cccc2ncsc12.Cc1cccc2scnc12
InChIInChI=1S/C10H9NO3.C9H9N.C9H10O.C8H8N2.C8H7NO.2C8H7NS.CH4/c1-6-3-7(10(12)13-2)4-8-9(6)14-5-11-8;1-7-3-2-4-9-8(7)5-6-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7;1-6-3-2-4-7-8(6)9-5-10-7;1-6-3-2-4-7-8(6)10-5-9-7;/h3-5H,1-2H3;2-6,10H,1H3;2-4H,5-6H2,1H3;2-5H,1H3,(H,9,10);3*2-5H,1H3;1H4
InChIKeyFSNVMJJXULXNNS-UHFFFAOYSA-N
XLogP16.18
TPSA157.84 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001036.34
LogP ≤ 516.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate 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

1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;2,3-dihydro-1H-isoindole
CID 70103853
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836
5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole
CID 141128669
2-[4-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-6-(1H-imidazol-2-yl)-1-phenylsulfanyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]-1,3-oxazole
CID 141195186
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole
CID 141195189
2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole
CID 141212886
2-[5-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-3-(1,2-benzoxazol-3-yl)-6-(1H-pyrrol-2-yl)-2H-chromen-4-yl]-1,3-benzoxazole
CID 141303946
3,9-dimethylcarbazole;3,5-dimethyl-2H-1,3-oxazole;1-methoxy-4-methylbenzene;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;4-methyl-2H-imidazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methylisoindole;1-methylnaphthalene;2-methylpyrimidine;5-methylpyrimidine;6-methylpyrrolo[3,4-b]pyrazine;bis(6-methylpyrrolo[3,4-b]pyridine);2-methylpyrrolo[3,4-c]pyridine;2-methylquinazoline;2-methylquinoxaline;2-methyl-4,5,6,7-tetrahydroisoindole;N,N,4-trimethylaniline
CID 157161544
4-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;4-methyl-1-benzofuran;7-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;4-methyl-1-benzothiophene;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;4-methyl-1,3-benzoxazole;3-methyl-2H-indazole;bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole);6-methyl-1H-indole;2-methylthieno[2,3-b]pyridine;4-methylthieno[2,3-c]pyridine
CID 157221558
acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;1H-indole;isoquinoline;1,3-oxazole;pyrazine;pyridine;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157252834
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;6-methyl-1H-benzimidazol-2-amine;2-methyl-1H-benzimidazole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;5-methyl-1-benzofuran-2-amine;2-methyl-1-benzofuran-5-ol;5-methyl-1,3-benzothiazol-2-amine;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;5-methyl-1-benzothiophen-2-amine;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1-benzothiophen-5-ol;5-methyl-1,3-benzoxazol-2-amine;2-methyl-1,3-benzoxazole;5-methyl-1H-indol-2-amine;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 157289274
2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole
CID 157306902

Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate?
The IUPAC name of methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate (CID 158129078) is methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate.
What is the SMILES notation for methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate?
The canonical SMILES for methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate is C.COC(=O)c1cc(C)c2ocnc2c1.Cc1ccc2nc[nH]c2c1.Cc1cccc2[nH]ccc12.Cc1cccc2c1OCC2.Cc1cccc2ncoc12.Cc1cccc2ncsc12.Cc1cccc2scnc12.
What is the InChIKey of methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate?
The InChIKey is FSNVMJJXULXNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3.C9H9N.C9H10O.C8H8N2.C8H7NO.2C8H7NS.CH4/c1-6-3-7(10(12)13-2)4-8-9(6)14-5-11-8;1-7-3-2-4-9-8(7)5-6-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7;1-6-3-2-4-7-8(6)9-5-10-7;1-6-3-2-4-7-8(6)10-5-9-7;/h3-5H,1-2H3;2-6,10H,1H3;2-4H,5-6H2,1H3;2-5H,1H3,(H,9,10);3*2-5H,1H3;1H4.
What are the key properties of methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate?
methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate has a molecular weight of 1036.34 g/mol, XLogP of 16.18, 1 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-1H-benzimidazole;4-methyl-1,3-benzothiazole;7-methyl-1,3-benzothiazole;7-methyl-1,3-benzoxazole;7-methyl-2,3-dihydro-1-benzofuran;4-methyl-1H-indole;methyl 7-methyl-1,3-benzoxazole-5-carboxylate is sourced from PubChem (CID 158129078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).