1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene

C161H265N9O5S2 — CID 160955976

IUPAC1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2occc2c1.Cc1ccc2oncc2c1.Cc1ccc2sccc2c1
InChIInChI=1S/C10H11NO.2C10H11N.C10H12.2C9H10N2.2C9H8O.2C9H8S.2C8H7NO.25C2H6.CH4/c1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;25*1-2;/h3-5H,6H2,1-2H3;2*3-7H,1-2H3;5-7H,2-4H2,1H3;2*3-6H,1-2H3;4*2-6H,1H3;2*2-5H,1H3;25*1-2H3;1H4
InChIKeySWJUXXSOGBLNDQ-UHFFFAOYSA-N
MW2471.08 g/mol
LogP55.27
Rot. Bonds

About 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene

1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene (PubChem CID 160955976) has the molecular formula C161H265N9O5S2 and a molecular weight of 2471.08 g/mol. Its IUPAC name is 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene
PubChem CID160955976
Molecular FormulaC161H265N9O5S2
Molecular Weight2471.08 g/mol
Exact Mass2469.02
IUPAC Name1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2occc2c1.Cc1ccc2oncc2c1.Cc1ccc2sccc2c1
InChIInChI=1S/C10H11NO.2C10H11N.C10H12.2C9H10N2.2C9H8O.2C9H8S.2C8H7NO.25C2H6.CH4/c1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;25*1-2;/h3-5H,6H2,1-2H3;2*3-7H,1-2H3;5-7H,2-4H2,1H3;2*3-6H,1-2H3;4*2-6H,1H3;2*2-5H,1H3;25*1-2H3;1H4
InChIKeySWJUXXSOGBLNDQ-UHFFFAOYSA-N
XLogP55.27
TPSA144.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002471.08
LogP ≤ 555.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene with MolForge

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Related Compounds

12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;4-[11-(3,5-diphenylphenyl)-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1(13),2(10),3,5,8,11,14,16,18,20,23-undecaen-12-yl]-N,N-diphenylaniline;12-(4-methoxyphenyl)-16-phenyl-7-thia-16-azahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,5,8,10,12,14,17,19,21,23-undecaene
CID 157136524
2,3-Dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,2,3-trimethylnaphthalene;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
CID 157173412
cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylpyrimidine-2,4-dione;methane;[(E)-3-methylbut-1-enyl]benzene;3-methylbut-1-ynylbenzene;1-methyl-5-propan-2-yl-3,4-dihydropyridin-2-one;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylpyridin-2-one;2-methylpropylbenzene;1-phenyl-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;6-propan-2-yl-2,1-benzoxazole;propan-2-ylcyclopentane;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;6-propan-2-ylindolizine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;9-propan-2-ylphenanthrene
CID 157322238
5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;bis(5,6-di(propan-2-yl)-2,1-benzoxazole);5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;tris(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);tris(5,6-di(propan-2-yl)-1H-isoindole)
CID 157438677
1-Tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;1-tert-butylindolizine;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;3-tert-butyl-1-methylindole;1-tert-butyl-2-methylisoindole
CID 157585003
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157679396
2,7-dimethylnaphthalene;bis(5-methyl-1,2-benzothiazol-3-amine);bis(5-methyl-1,2-benzoxazol-3-amine);5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;bis(6-methyl-3H-isoindol-1-amine);6-methyl-1H-isoindole;N-(7-methylnaphthalen-2-yl)formamide;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157832637
2,3-Dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;2,3-dimethylfuran;3,4-dimethylfuran;1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;2,3-dimethylpyridine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methyl-2-(2-methylphenyl)benzene;1,2,3-trimethylindole;1,3,4-trimethylpyrazole;1,2,3-trimethylpyrrole;1,3,4-trimethylpyrrole;1,2-xylene
CID 157847463
12-(1-Benzothiophen-3-yl)-22-phenyl-7-oxa-22-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-(4-methoxyphenyl)-11,16-diphenyl-7-oxa-16-azahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-1,3,5,8,10,12,14,17,19,21,23-undecaene;12-(4-methoxyphenyl)-22-phenyl-7-oxa-22-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;22-phenyl-12-pyridin-3-yl-7-oxa-22-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene
CID 157919746
4,5-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;5,6-dimethyl-1-benzofuran;bis(5,7-dimethyl-1-benzofuran);6,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzothiophene;4,7-dimethyl-1-benzothiophene;5,6-dimethyl-1-benzothiophene;bis(5,7-dimethyl-1-benzothiophene);6,7-dimethyl-1-benzothiophene;4,5-dimethyl-1H-indole;4,7-dimethyl-1H-indole;5,6-dimethyl-1H-indole;bis(5,7-dimethyl-1H-indole);6,7-dimethyl-1H-indole
CID 158006802
5,6-di(propan-2-yl)-1-benzofuran;5,6-di(propan-2-yl)-2-benzofuran;5,6-di(propan-2-yl)-1,2-benzothiazole;5,6-di(propan-2-yl)-2,1-benzothiazole;5,6-di(propan-2-yl)-1-benzothiophene;5,6-di(propan-2-yl)-1,2-benzoxazole;bis(5,6-di(propan-2-yl)-2,1-benzoxazole);5,6-di(propan-2-yl)-1,3-dihydroindol-2-one;5,6-di(propan-2-yl)-1H-indazole;5,6-di(propan-2-yl)-3H-indazole;5,6-di(propan-2-yl)-1H-indene;bis(5,6-di(propan-2-yl)-1H-indole);tris(5,6-di(propan-2-yl)-3H-indole);tris(5,6-di(propan-2-yl)-1H-isoindole)
CID 158180272
2-Tert-butyl-1-benzothiophene;1-tert-butyl-4-fluoronaphthalene;6-tert-butylisoquinoline;6-tert-butyl-3-methyl-1,2-benzoxazole;6-tert-butyl-1-methylindole;1-tert-butylnaphthalene;6-tert-butyl-1-phenoxynaphthalene;6-tert-butyl-1-phenylmethoxynaphthalene;4-tert-butyl-1-phenylpyrazole;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline
CID 158320306

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene (CID 160955976) is 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2occc2c1.Cc1ccc2oncc2c1.Cc1ccc2sccc2c1.
What is the InChIKey of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene?
The InChIKey is SWJUXXSOGBLNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.2C10H11N.C10H12.2C9H10N2.2C9H8O.2C9H8S.2C8H7NO.25C2H6.CH4/c1-7-3-4-9-8(5-7)6-11(2)10(9)12;1-8-3-4-10-9(7-8)5-6-11(10)2;1-8-3-4-9-5-6-11(2)10(9)7-8;1-8-5-6-9-3-2-4-10(9)7-8;1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;25*1-2;/h3-5H,6H2,1-2H3;2*3-7H,1-2H3;5-7H,2-4H2,1H3;2*3-6H,1-2H3;4*2-6H,1H3;2*2-5H,1H3;25*1-2H3;1H4.
What are the key properties of 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene?
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene has a molecular weight of 2471.08 g/mol, XLogP of 55.27, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 160955976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).