1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole

C147H212N12O6S4 — CID 158573688

IUPAC1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole
SMILESC1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2sncc2c1.c1ccoc1.c1cocn1
InChIInChI=1S/C10H11NO.C10H11NS.C8H7N.C8H6O.C8H6S.2C7H6N2.2C7H5NO.2C7H5NS.C6H12.C4H4O.12C4H10.C3H3NO/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-4-5-3-1;12*1-4(2)3;1-2-5-3-4-1/h2*3-7H,1-2H3;1-6,9H;2*1-6H;2*1-5H,(H,8,9);4*1-5H;1-6H2;1-4H;12*4H,1-3H3;1-3H
InChIKeyHSJWQEUJDMGFBP-UHFFFAOYSA-N
MW2371.66 g/mol
LogP49.49
Rot. Bonds2

About 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole

1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole (PubChem CID 158573688) has the molecular formula C147H212N12O6S4 and a molecular weight of 2371.66 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole
PubChem CID158573688
Molecular FormulaC147H212N12O6S4
Molecular Weight2371.66 g/mol
Exact Mass2369.55
IUPAC Name1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole
SMILESC1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2sncc2c1.c1ccoc1.c1cocn1
InChIInChI=1S/C10H11NO.C10H11NS.C8H7N.C8H6O.C8H6S.2C7H6N2.2C7H5NO.2C7H5NS.C6H12.C4H4O.12C4H10.C3H3NO/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-4-5-3-1;12*1-4(2)3;1-2-5-3-4-1/h2*3-7H,1-2H3;1-6,9H;2*1-6H;2*1-5H,(H,8,9);4*1-5H;1-6H2;1-4H;12*4H,1-3H3;1-3H
InChIKeyHSJWQEUJDMGFBP-UHFFFAOYSA-N
XLogP49.49
TPSA242.22 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds2
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.66
LogP ≤ 549.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole with MolForge

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Related Compounds

N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;3-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;3-methyl-2H-indazole;6-methyl-1H-indazole
CID 157292221
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 157397906
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;2-methyl-1H-benzimidazole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;3-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methylthieno[2,3-b]pyridine
CID 158095790
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
3-tert-butyl-5-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;2,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;2-ethyl-5-methyltetrazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpyrimidine;2-methyl-4,5,6,7-tetrahydro-3H-indole;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 158248952
N,3-dimethylbenzamide;1,5-dimethylbenzimidazol-2-amine;1,5-dimethylindol-2-amine;1,3-dimethyl-5-(trifluoromethyl)benzene;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;3-methyl-1,2-benzoxazole;3-methyl-2H-indazole;2-methyl-1H-indole;3-methyl-1H-indole;2-methyl-1H-indol-5-ol;N-(3-methylphenyl)acetamide
CID 158727015
CID 159108040
CID 159108040
CID 159235762
CID 159235762
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole (CID 158573688) is 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole is C1CCCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2sncc2c1.c1ccoc1.c1cocn1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole?
The InChIKey is HSJWQEUJDMGFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C10H11NS.C8H7N.C8H6O.C8H6S.2C7H6N2.2C7H5NO.2C7H5NS.C6H12.C4H4O.12C4H10.C3H3NO/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5-3-1;1-2-4-5-3-1;12*1-4(2)3;1-2-5-3-4-1/h2*3-7H,1-2H3;1-6,9H;2*1-6H;2*1-5H,(H,8,9);4*1-5H;1-6H2;1-4H;12*4H,1-3H3;1-3H.
What are the key properties of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole?
1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole has a molecular weight of 2371.66 g/mol, XLogP of 49.49, 2 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;2,1-benzothiazole;1-benzothiophene;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;furan;1H-indazole;1H-indole;dodecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 158573688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).