ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole

C83H113N11O2 — CID 160919886

IUPACethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2oncc2c1
InChIInChI=1S/2C9H9N.C9H8O.4C8H8N2.C8H7NO.8C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;8*1-2/h2*2-6,10H,1H3;2-6H,1H3;4*2-5H,1H3,(H,9,10);2-5H,1H3;8*1-2H3
InChIKeySRWQXZOBFYMJJG-UHFFFAOYSA-N
MW1296.89 g/mol
LogP25.52
Rot. Bonds

About ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole

ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole (PubChem CID 160919886) has the molecular formula C83H113N11O2 and a molecular weight of 1296.89 g/mol. Its IUPAC name is ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole.

Molecular Properties

Compound Nameethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole
PubChem CID160919886
Molecular FormulaC83H113N11O2
Molecular Weight1296.89 g/mol
Exact Mass1295.91
IUPAC Nameethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2oncc2c1
InChIInChI=1S/2C9H9N.C9H8O.4C8H8N2.C8H7NO.8C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;8*1-2/h2*2-6,10H,1H3;2-6H,1H3;4*2-5H,1H3,(H,9,10);2-5H,1H3;8*1-2H3
InChIKeySRWQXZOBFYMJJG-UHFFFAOYSA-N
XLogP25.52
TPSA185.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.89
LogP ≤ 525.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole with MolForge

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Related Compounds

3-[[3-(1,1-difluoroethoxy)phenyl]methyl]-7-[2-(1H-indazol-6-yl)ethynyl]-6-methyl-1,2-benzoxazole;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;7-[2-(1H-indazol-5-yl)ethynyl]-3-[(3-methoxyphenyl)methyl]-6-methyl-1,2-benzoxazole;2-methyl-2-[3-[[6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazol-3-yl]methyl]phenyl]propanenitrile
CID 157372870
3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole
CID 157481716
(5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 160868295
N-(1H-benzimidazol-4-ylmethyl)-3-ethoxy-N-methyl-4-(1H-pyrazol-5-yl)benzamide;3-(2,2-difluoroethoxy)-N-(1H-indazol-7-ylmethyl)-N-methyl-4-phenylbenzamide;3-(difluoromethoxy)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)benzamide;3-(fluoromethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-(methoxymethyl)-N-methyl-4-phenylbenzamide
CID 167555498
7-[3-(2,3-dihydro-1-benzofuran-2-yl)-1-benzofuran-2-yl]-6-(2,3-dihydro-1H-isoindol-1-yl)-4-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-1H-benzimidazole
CID 91806154
4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 129214096
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137099571
4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
CID 141113485
3-[2-(1-benzofuran-2-yl)-3-(2,1,3-benzoxadiazol-4-yl)-4-(1H-indazol-3-yl)-6-(1H-pyrrol-2-yl)phenyl]-1H-benzimidazol-2-one
CID 141137452
3-[2-(1-benzofuran-2-yl)-3-(2,1,3-benzoxadiazol-4-yl)-6-(1H-imidazol-2-yl)-4-(1H-indazol-3-yl)phenyl]-1H-benzimidazol-2-one
CID 141220961
5-[7-[4-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145034575
1-methylbenzimidazole;2-methyl-1H-benzimidazole;bis(6-methyl-1H-benzimidazole);2-methyl-1,3-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indazole
CID 157101861

Frequently Asked Questions

What is the IUPAC name of ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole?
The IUPAC name of ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole (CID 160919886) is ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole.
What is the SMILES notation for ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole?
The canonical SMILES for ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2oncc2c1.
What is the InChIKey of ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole?
The InChIKey is SRWQXZOBFYMJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9N.C9H8O.4C8H8N2.C8H7NO.8C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;8*1-2/h2*2-6,10H,1H3;2-6H,1H3;4*2-5H,1H3,(H,9,10);2-5H,1H3;8*1-2H3.
What are the key properties of ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole?
ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole has a molecular weight of 1296.89 g/mol, XLogP of 25.52, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(6-methyl-1H-benzimidazole);6-methyl-1-benzofuran;5-methyl-1,2-benzoxazole;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole is sourced from PubChem (CID 160919886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).