1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene

C207H345N15O5 — CID 158082532

About 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene

1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 158082532) has the molecular formula C207H345N15O5 and a molecular weight of 3124.14 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;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 158082532
• Molecular Formula: C207H345N15O5
• Molecular Weight: 3124.14 g/mol
• Exact Mass: 3121.72
• IUPAC Name: 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene
• SMILES: 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.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.Cc1cnc2ccccc2c1
• InChI: InChI=1S/C11H14.C11H10.C10H11NO.2C10H11N.2C10H9N.C10H12.2C9H10N2.C8H8N2.4C8H7NO.33C2H6.CH4/c2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(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;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;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;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;33*1-2;/h6-8H,2-5H2,1H3;2-8H,1H3;3-5H,6H2,1-2H3;2*3-7H,1-2H3;2*2-7H,1H3;5-7H,2-4H2,1H3;2*3-6H,1-2H3;2-5H,1H3,(H,9,10);4*2-5H,1H3;33*1-2H3;1H4
• InChIKey: FNCXLESUCXBJMY-UHFFFAOYSA-N
• XLogP: 68.83
• TPSA: 224.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3124.14
LogP ≤ 5	68.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene?

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;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene (CID 158082532) is 1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene.

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;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene?

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;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene 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.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)CCC2.Cc1ccc2c(c1)CCCC2.Cc1ccc2c(c1)CN(C)C2=O.Cc1ccc2c(ccn2C)c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2ccccc2c1.Cc1ccc2cccnc2c1.Cc1ccc2ccn(C)c2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncoc2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.Cc1cnc2ccccc2c1.

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;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene?

The InChIKey is FNCXLESUCXBJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C11H10.C10H11NO.2C10H11N.2C10H9N.C10H12.2C9H10N2.C8H8N2.4C8H7NO.33C2H6.CH4/c2*1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-3-4-9-8(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;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;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;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;33*1-2;/h6-8H,2-5H2,1H3;2-8H,1H3;3-5H,6H2,1-2H3;2*3-7H,1-2H3;2*2-7H,1H3;5-7H,2-4H2,1H3;2*3-6H,1-2H3;2-5H,1H3,(H,9,10);4*2-5H,1H3;33*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;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene?

1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 3124.14 g/mol, XLogP of 68.83, 0 rotatable bonds, 1 hydrogen bond donors, and 18 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;6-methyl-1H-benzimidazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indene;2-methylnaphthalene;3-methylquinoline;7-methylquinoline;6-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158082532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).