N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide

C87H65ClF5N19O10S6 — CID 158166828

IUPACN-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide
SMILESCn1ccnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1.O=S(=O)(Nc1ccc(F)cc1F)c1ccc2nc(C3=CCC=C3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3nccs3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(C3=CCC=C3)[nH]c2c1
InChIInChI=1S/C18H13F2N3O2S.C18H13FN4O2S.C18H14FN3O2S.C17H14ClN5O2S.C16H11FN4O2S2/c19-12-5-7-15(14(20)9-12)23-26(24,25)13-6-8-16-17(10-13)22-18(21-16)11-3-1-2-4-11;19-13-5-1-2-6-14(13)23-26(24,25)12-8-9-15-17(11-12)22-18(21-15)16-7-3-4-10-20-16;19-14-7-3-4-8-15(14)22-25(23,24)13-9-10-16-17(11-13)21-18(20-16)12-5-1-2-6-12;1-23-9-8-19-17(23)16-20-14-7-6-11(10-15(14)21-16)26(24,25)22-13-5-3-2-4-12(13)18;17-11-3-1-2-4-12(11)21-25(22,23)10-5-6-13-14(9-10)20-15(19-13)16-18-7-8-24-16/h1,3-10,23H,2H2,(H,21,22);1-11,23H,(H,21,22);1,3-11,22H,2H2,(H,20,21);2-10,22H,1H3,(H,20,21);1-9,21H,(H,19,20)
InChIKeyFWYFMYBGHARPCR-UHFFFAOYSA-N
MW1859.44 g/mol
LogP18.44
Rot. Bonds20

About N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide (PubChem CID 158166828) has the molecular formula C87H65ClF5N19O10S6 and a molecular weight of 1859.44 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide
PubChem CID158166828
Molecular FormulaC87H65ClF5N19O10S6
Molecular Weight1859.44 g/mol
Exact Mass1857.31
IUPAC NameN-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide
SMILESCn1ccnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1.O=S(=O)(Nc1ccc(F)cc1F)c1ccc2nc(C3=CCC=C3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3nccs3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(C3=CCC=C3)[nH]c2c1
InChIInChI=1S/C18H13F2N3O2S.C18H13FN4O2S.C18H14FN3O2S.C17H14ClN5O2S.C16H11FN4O2S2/c19-12-5-7-15(14(20)9-12)23-26(24,25)13-6-8-16-17(10-13)22-18(21-16)11-3-1-2-4-11;19-13-5-1-2-6-14(13)23-26(24,25)12-8-9-15-17(11-12)22-18(21-15)16-7-3-4-10-20-16;19-14-7-3-4-8-15(14)22-25(23,24)13-9-10-16-17(11-13)21-18(20-16)12-5-1-2-6-12;1-23-9-8-19-17(23)16-20-14-7-6-11(10-15(14)21-16)26(24,25)22-13-5-3-2-4-12(13)18;17-11-3-1-2-4-12(11)21-25(22,23)10-5-6-13-14(9-10)20-15(19-13)16-18-7-8-24-16/h1,3-10,23H,2H2,(H,21,22);1-11,23H,(H,21,22);1,3-11,22H,2H2,(H,20,21);2-10,22H,1H3,(H,20,21);1-9,21H,(H,19,20)
InChIKeyFWYFMYBGHARPCR-UHFFFAOYSA-N
XLogP18.44
TPSA417.85 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001859.44
LogP ≤ 518.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide with MolForge

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Related Compounds

2-[5-[2-chloro-3-[[2-(1-methylimidazol-2-yl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 123722969
2-chloro-N-[[2-(1-methylimidazol-2-yl)-3H-benzimidazol-5-yl]sulfanyl]aniline;2-fluoro-N-[[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]sulfanyl]aniline
CID 144127606
5-chloro-6-[(2-chlorophenyl)methylsulfinyl]-2-pyridin-2-yl-1H-benzimidazole;5-[(3-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-2-(1-hydroxy-2-pyridinylidene)benzimidazole;2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole
CID 158345843
6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole
CID 160144426
2-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-5-methyl-2-pyridinyl)-1H-benzimidazole;6-[(2-chlorophenyl)methylsulfonyl]-2-(3-fluoro-2-pyridinyl)-1H-benzimidazole;bis(6-[(2-chlorophenyl)methylsulfonyl]-2-(6-methyl-2-pyridinyl)-1H-benzimidazole);6-[(2-chlorophenyl)methylsulfonyl]-2-(3H-pyrrol-5-yl)-1H-benzimidazole;6-[(2,6-difluorophenyl)methylsulfonyl]-2-pyridin-2-yl-1H-benzimidazole;2-pyridin-2-yl-6-[(2,4,5-trifluorophenyl)methylsulfonyl]-1H-benzimidazole
CID 160767407

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide (CID 158166828) is N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide is Cn1ccnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1.O=S(=O)(Nc1ccc(F)cc1F)c1ccc2nc(C3=CCC=C3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3ccccn3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(-c3nccs3)[nH]c2c1.O=S(=O)(Nc1ccccc1F)c1ccc2nc(C3=CCC=C3)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is FWYFMYBGHARPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2S.C18H13FN4O2S.C18H14FN3O2S.C17H14ClN5O2S.C16H11FN4O2S2/c19-12-5-7-15(14(20)9-12)23-26(24,25)13-6-8-16-17(10-13)22-18(21-16)11-3-1-2-4-11;19-13-5-1-2-6-14(13)23-26(24,25)12-8-9-15-17(11-12)22-18(21-15)16-7-3-4-10-20-16;19-14-7-3-4-8-15(14)22-25(23,24)13-9-10-16-17(11-13)21-18(20-16)12-5-1-2-6-12;1-23-9-8-19-17(23)16-20-14-7-6-11(10-15(14)21-16)26(24,25)22-13-5-3-2-4-12(13)18;17-11-3-1-2-4-12(11)21-25(22,23)10-5-6-13-14(9-10)20-15(19-13)16-18-7-8-24-16/h1,3-10,23H,2H2,(H,21,22);1-11,23H,(H,21,22);1,3-11,22H,2H2,(H,20,21);2-10,22H,1H3,(H,20,21);1-9,21H,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 1859.44 g/mol, XLogP of 18.44, 20 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2,4-difluorophenyl)-3H-benzimidazole-5-sulfonamide;2-cyclopenta-1,4-dien-1-yl-N-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide;N-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 158166828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).