1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane

C124H211N15O3S3 — CID 158123642

IUPAC1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2onnc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccc2snnc2c1
InChIInChI=1S/2C7H6N2.2C7H5NO.2C7H5NS.C6H5N3.C6H4N2O.C6H4N2S.9C5H12.9C2H6.CH4/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6;2*1-2-4-6-5(3-1)7-8-9-6;9*1-5(2,3)4;9*1-2;/h2*1-5H,(H,8,9);4*1-5H;1-4H,(H,7,8,9);2*1-4H;9*1-4H3;9*1-2H3;1H4
InChIKeyFRWZHQLEUXVMEZ-UHFFFAOYSA-N
MW2056.35 g/mol
LogP43.59
Rot. Bonds

About 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane

1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane (PubChem CID 158123642) has the molecular formula C124H211N15O3S3 and a molecular weight of 2056.35 g/mol. Its IUPAC name is 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane.

Molecular Properties

Compound Name1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane
PubChem CID158123642
Molecular FormulaC124H211N15O3S3
Molecular Weight2056.35 g/mol
Exact Mass2054.60
IUPAC Name1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2onnc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccc2snnc2c1
InChIInChI=1S/2C7H6N2.2C7H5NO.2C7H5NS.C6H5N3.C6H4N2O.C6H4N2S.9C5H12.9C2H6.CH4/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6;2*1-2-4-6-5(3-1)7-8-9-6;9*1-5(2,3)4;9*1-2;/h2*1-5H,(H,8,9);4*1-5H;1-4H,(H,7,8,9);2*1-4H;9*1-4H3;9*1-2H3;1H4
InChIKeyFRWZHQLEUXVMEZ-UHFFFAOYSA-N
XLogP43.59
TPSA241.47 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002056.35
LogP ≤ 543.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane with MolForge

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Related Compounds

1-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
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
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
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
2-[5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 141051882
2-[2-(1,3-benzothiazol-2-yl)-1-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-1-yl]-1,3-benzoxazole
CID 141054334
2-[5-(2H-benzotriazol-4-yl)-2-(1,2-benzoxazol-3-yl)-1-(2H-indazol-3-yl)-1-(1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-1,3-benzoxazole
CID 141196721
2-[4-(1H-benzimidazol-2-yl)-6-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-1-(1H-pyrazol-3-yl)-1-(1,3-thiazol-2-yl)-5-(1H-triazol-4-yl)-1,3-benzothiazol-2-yl]-1,3-benzoxazole
CID 141358980
3-[1-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-1-(9H-carbazol-1-yl)-1-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-3H-1,2-thiazol-4-yl]-1,2-oxazole
CID 141434046
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2,3-dihydro-1H-benzimidazole;4,5-dihydro-1,2-oxazole;ethane;furan;1H-imidazole;1H-indole;2-methyl-1,3,5-triazine;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoline;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
CID 157067399
10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,2]thiazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]thiazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]thiophen-10-yl]-1H-imidazole
CID 157068316

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane?
The IUPAC name of 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane (CID 158123642) is 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane.
What is the SMILES notation for 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane?
The canonical SMILES for 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2onnc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccc2snnc2c1.
What is the InChIKey of 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane?
The InChIKey is FRWZHQLEUXVMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.2C7H5NO.2C7H5NS.C6H5N3.C6H4N2O.C6H4N2S.9C5H12.9C2H6.CH4/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6;2*1-2-4-6-5(3-1)7-8-9-6;9*1-5(2,3)4;9*1-2;/h2*1-5H,(H,8,9);4*1-5H;1-4H,(H,7,8,9);2*1-4H;9*1-4H3;9*1-2H3;1H4.
What are the key properties of 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane?
1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane has a molecular weight of 2056.35 g/mol, XLogP of 43.59, 0 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,2,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;1,2,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;nonakis(2,2-dimethylpropane);ethane;1H-indazole;methane is sourced from PubChem (CID 158123642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).