1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole

C99H163N11O3S2 — CID 158899994

IUPAC1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole

SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2cnsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.Cc1ccc2sncc2c1

InChIInChI=1S/C9H10N2.2C8H8N2.3C8H7NO.2C8H7NS.17C2H6/c1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;17*1-2/h3-6H,1-2H3;2*2-5H,1H3,(H,9,10);5*2-5H,1H3;17*1-2H3

InChIKeyJFHSQUUDCDDQBA-UHFFFAOYSA-N

MW1619.60 g/mol

LogP34.69

Rot. Bonds

About 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole

1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole (PubChem CID 158899994) has the molecular formula C99H163N11O3S2 and a molecular weight of 1619.60 g/mol. Its IUPAC name is 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole.

Molecular Properties

Compound Name	1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole
PubChem CID	158899994
Molecular Formula	C99H163N11O3S2
Molecular Weight	1619.60 g/mol
Exact Mass	1618.24
IUPAC Name	1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole
SMILES	CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2cnsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.Cc1ccc2sncc2c1
InChI	InChI=1S/C9H10N2.2C8H8N2.3C8H7NO.2C8H7NS.17C2H6/c1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;171-2/h3-6H,1-2H3;22-5H,1H3,(H,9,10);52-5H,1H3;171-2H3
InChIKey	JFHSQUUDCDDQBA-UHFFFAOYSA-N
XLogP	34.69
TPSA	179.05 Å²
H-Bond Donors	2
H-Bond Acceptors	14
Rotatable Bonds
Heavy Atoms	115
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1619.60
LogP ≤ 5	34.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole?

The IUPAC name of 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole (CID 158899994) is 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole.

What is the SMILES notation for 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole?

The canonical SMILES for 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2[nH]ncc2c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2cnoc2c1.Cc1ccc2cnsc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ocnc2c1.Cc1ccc2oncc2c1.Cc1ccc2sncc2c1.

What is the InChIKey of 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole?

The InChIKey is JFHSQUUDCDDQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.2C8H8N2.3C8H7NO.2C8H7NS.17C2H6/c1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;1-6-2-3-8-7(4-6)5-9-10-8;1-6-2-3-7-5-9-10-8(7)4-6;17*1-2/h3-6H,1-2H3;2*2-5H,1H3,(H,9,10);5*2-5H,1H3;17*1-2H3.

What are the key properties of 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole?

1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole has a molecular weight of 1619.60 g/mol, XLogP of 34.69, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-dimethylindazole;ethane;6-methyl-1H-benzimidazole;5-methyl-1,2-benzothiazole;6-methyl-1,2-benzothiazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;5-methyl-1H-indazole is sourced from PubChem (CID 158899994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).