methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine

C85H124N14O8S3 — CID 157385694

About methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine

methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine (PubChem CID 157385694) has the molecular formula C85H124N14O8S3 and a molecular weight of 1566.22 g/mol. Its IUPAC name is methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine
• PubChem CID: 157385694
• Molecular Formula: C85H124N14O8S3
• Molecular Weight: 1566.22 g/mol
• Exact Mass: 1564.89
• IUPAC Name: methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine
• SMILES: C.C.C.C.C.C.CC(C)c1ccc2c(c1)CCN2S(C)(=O)=O.CC(C)c1ccc2c(n1)CCN2S(C)(=O)=O.COCc1cn(-c2ccc(C(C)C)cc2OC)cn1.COc1cc(C(C)C)ccc1-n1cnc(C)n1.Cc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.Cc1cn(-c2ccc(C(C)C)c3cnsc23)cn1
• InChI: InChI=1S/C15H20N2O2.C14H15N3O.C14H15N3S.C13H17N3O.C12H17NO2S.C11H16N2O2S.6CH4/c1-11(2)12-5-6-14(15(7-12)19-4)17-8-13(9-18-3)16-10-17;2*1-9(2)11-4-5-13(14-12(11)6-16-18-14)17-7-10(3)15-8-17;1-9(2)11-5-6-12(13(7-11)17-4)16-8-14-10(3)15-16;1-9(2)10-4-5-12-11(8-10)6-7-13(12)16(3,14)15;1-8(2)9-4-5-11-10(12-9)6-7-13(11)16(3,14)15;;;;;;/h5-8,10-11H,9H2,1-4H3;2*4-9H,1-3H3;5-9H,1-4H3;4-5,8-9H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;6*1H4
• InChIKey: BLKBBTAKPNHGKH-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 238.43 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1566.22
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine?

The IUPAC name of methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine (CID 157385694) is methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine.

What is the SMILES notation for methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine?

The canonical SMILES for methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine is C.C.C.C.C.C.CC(C)c1ccc2c(c1)CCN2S(C)(=O)=O.CC(C)c1ccc2c(n1)CCN2S(C)(=O)=O.COCc1cn(-c2ccc(C(C)C)cc2OC)cn1.COc1cc(C(C)C)ccc1-n1cnc(C)n1.Cc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.Cc1cn(-c2ccc(C(C)C)c3cnsc23)cn1.

What is the InChIKey of methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine?

The InChIKey is BLKBBTAKPNHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.C14H15N3O.C14H15N3S.C13H17N3O.C12H17NO2S.C11H16N2O2S.6CH4/c1-11(2)12-5-6-14(15(7-12)19-4)17-8-13(9-18-3)16-10-17;2*1-9(2)11-4-5-13(14-12(11)6-16-18-14)17-7-10(3)15-8-17;1-9(2)11-5-6-12(13(7-11)17-4)16-8-14-10(3)15-16;1-9(2)10-4-5-12-11(8-10)6-7-13(12)16(3,14)15;1-8(2)9-4-5-11-10(12-9)6-7-13(11)16(3,14)15;;;;;;/h5-8,10-11H,9H2,1-4H3;2*4-9H,1-3H3;5-9H,1-4H3;4-5,8-9H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;6*1H4.

What are the key properties of methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine?

methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 1566.22 g/mol, XLogP of 20.69, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydroindole;1-methylsulfonyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 157385694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).