6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole

C97H96N16O8S6 — CID 160981629

IUPAC6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole
SMILESCCCS(=O)(=O)c1ccc2nc(C)[nH]c2c1.CCCS(=O)c1ccc2nc(C)[nH]c2c1.CCCSc1ccc2nc(C)[nH]c2c1.Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccc(C(=O)c3cccs3)cc2[nH]1.Cc1nc2ccc(S(=O)(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O.C14H12N2O2S.C14H12N2OS.C13H10N2OS.C11H14N2O2S.C11H14N2OS.C11H14N2S.C8H8N2/c1-10-16-13-8-7-12(9-14(13)17-10)15(18)11-5-3-2-4-6-11;1-10-15-13-8-7-12(9-14(13)16-10)19(17,18)11-5-3-2-4-6-11;1-10-15-13-8-7-12(9-14(13)16-10)18(17)11-5-3-2-4-6-11;1-8-14-10-5-4-9(7-11(10)15-8)13(16)12-3-2-6-17-12;1-3-6-16(14,15)9-4-5-10-11(7-9)13-8(2)12-10;1-3-6-15(14)9-4-5-10-11(7-9)13-8(2)12-10;1-3-6-14-9-4-5-10-11(7-9)13-8(2)12-10;1-6-9-7-4-2-3-5-8(7)10-6/h2-9H,1H3,(H,16,17);2-9H,1H3,(H,15,16);2-9H,1H3,(H,15,16);2-7H,1H3,(H,14,15);4-5,7H,3,6H2,1-2H3,(H,12,13);4-5,7H,3,6H2,1-2H3,(H,12,13);4-5,7H,3,6H2,1-2H3,(H,12,13);2-5H,1H3,(H,9,10)
InChIKeySZPATUBNDORIBE-UHFFFAOYSA-N
MW1806.34 g/mol
LogP21.70
Rot. Bonds17

About 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole

6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole (PubChem CID 160981629) has the molecular formula C97H96N16O8S6 and a molecular weight of 1806.34 g/mol. Its IUPAC name is 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole
PubChem CID160981629
Molecular FormulaC97H96N16O8S6
Molecular Weight1806.34 g/mol
Exact Mass1804.59
IUPAC Name6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole
SMILESCCCS(=O)(=O)c1ccc2nc(C)[nH]c2c1.CCCS(=O)c1ccc2nc(C)[nH]c2c1.CCCSc1ccc2nc(C)[nH]c2c1.Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccc(C(=O)c3cccs3)cc2[nH]1.Cc1nc2ccc(S(=O)(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O.C14H12N2O2S.C14H12N2OS.C13H10N2OS.C11H14N2O2S.C11H14N2OS.C11H14N2S.C8H8N2/c1-10-16-13-8-7-12(9-14(13)17-10)15(18)11-5-3-2-4-6-11;1-10-15-13-8-7-12(9-14(13)16-10)19(17,18)11-5-3-2-4-6-11;1-10-15-13-8-7-12(9-14(13)16-10)18(17)11-5-3-2-4-6-11;1-8-14-10-5-4-9(7-11(10)15-8)13(16)12-3-2-6-17-12;1-3-6-16(14,15)9-4-5-10-11(7-9)13-8(2)12-10;1-3-6-15(14)9-4-5-10-11(7-9)13-8(2)12-10;1-3-6-14-9-4-5-10-11(7-9)13-8(2)12-10;1-6-9-7-4-2-3-5-8(7)10-6/h2-9H,1H3,(H,16,17);2-9H,1H3,(H,15,16);2-9H,1H3,(H,15,16);2-7H,1H3,(H,14,15);4-5,7H,3,6H2,1-2H3,(H,12,13);4-5,7H,3,6H2,1-2H3,(H,12,13);4-5,7H,3,6H2,1-2H3,(H,12,13);2-5H,1H3,(H,9,10)
InChIKeySZPATUBNDORIBE-UHFFFAOYSA-N
XLogP21.70
TPSA366.00 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms127
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001806.34
LogP ≤ 521.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole?
The IUPAC name of 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole (CID 160981629) is 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole?
The canonical SMILES for 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole is CCCS(=O)(=O)c1ccc2nc(C)[nH]c2c1.CCCS(=O)c1ccc2nc(C)[nH]c2c1.CCCSc1ccc2nc(C)[nH]c2c1.Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccc(C(=O)c3cccs3)cc2[nH]1.Cc1nc2ccc(S(=O)(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccc(S(=O)c3ccccc3)cc2[nH]1.Cc1nc2ccccc2[nH]1.
What is the InChIKey of 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole?
The InChIKey is SZPATUBNDORIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.C14H12N2O2S.C14H12N2OS.C13H10N2OS.C11H14N2O2S.C11H14N2OS.C11H14N2S.C8H8N2/c1-10-16-13-8-7-12(9-14(13)17-10)15(18)11-5-3-2-4-6-11;1-10-15-13-8-7-12(9-14(13)16-10)19(17,18)11-5-3-2-4-6-11;1-10-15-13-8-7-12(9-14(13)16-10)18(17)11-5-3-2-4-6-11;1-8-14-10-5-4-9(7-11(10)15-8)13(16)12-3-2-6-17-12;1-3-6-16(14,15)9-4-5-10-11(7-9)13-8(2)12-10;1-3-6-15(14)9-4-5-10-11(7-9)13-8(2)12-10;1-3-6-14-9-4-5-10-11(7-9)13-8(2)12-10;1-6-9-7-4-2-3-5-8(7)10-6/h2-9H,1H3,(H,16,17);2-9H,1H3,(H,15,16);2-9H,1H3,(H,15,16);2-7H,1H3,(H,14,15);4-5,7H,3,6H2,1-2H3,(H,12,13);4-5,7H,3,6H2,1-2H3,(H,12,13);4-5,7H,3,6H2,1-2H3,(H,12,13);2-5H,1H3,(H,9,10).
What are the key properties of 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole?
6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole has a molecular weight of 1806.34 g/mol, XLogP of 21.70, 17 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfinyl)-2-methyl-1H-benzimidazole;6-(benzenesulfonyl)-2-methyl-1H-benzimidazole;2-methyl-1H-benzimidazole;(2-methyl-3H-benzimidazol-5-yl)-phenylmethanone;(2-methyl-3H-benzimidazol-5-yl)-thiophen-2-ylmethanone;2-methyl-6-propylsulfanyl-1H-benzimidazole;2-methyl-6-propylsulfinyl-1H-benzimidazole;2-methyl-6-propylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 160981629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).