5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C32H24F4N4O4S — CID 71509313

IUPAC5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(F)c4nc(C)n(-c5cc(F)cc(F)c5)c4c3)cc12
InChIInChI=1S/C32H24F4N4O4S/c1-16-38-30-25(36)9-18(10-27(30)40(16)22-12-20(34)11-21(35)13-22)23-14-24-28(15-26(23)39(3)45(4,42)43)44-31(29(24)32(41)37-2)17-5-7-19(33)8-6-17/h5-15H,1-4H3,(H,37,41)
InChIKeyKVQXEHFBXAUBJE-UHFFFAOYSA-N
MW636.63 g/mol
LogP6.73
Rot. Bonds6

About 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71509313) has the molecular formula C32H24F4N4O4S and a molecular weight of 636.63 g/mol. Its IUPAC name is 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID71509313
Molecular FormulaC32H24F4N4O4S
Molecular Weight636.63 g/mol
Exact Mass636.15
IUPAC Name5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(F)c4nc(C)n(-c5cc(F)cc(F)c5)c4c3)cc12
InChIInChI=1S/C32H24F4N4O4S/c1-16-38-30-25(36)9-18(10-27(30)40(16)22-12-20(34)11-21(35)13-22)23-14-24-28(15-26(23)39(3)45(4,42)43)44-31(29(24)32(41)37-2)17-5-7-19(33)8-6-17/h5-15H,1-4H3,(H,37,41)
InChIKeyKVQXEHFBXAUBJE-UHFFFAOYSA-N
XLogP6.73
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.63
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71509313) is 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(F)c4nc(C)n(-c5cc(F)cc(F)c5)c4c3)cc12.
What is the InChIKey of 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is KVQXEHFBXAUBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F4N4O4S/c1-16-38-30-25(36)9-18(10-27(30)40(16)22-12-20(34)11-21(35)13-22)23-14-24-28(15-26(23)39(3)45(4,42)43)44-31(29(24)32(41)37-2)17-5-7-19(33)8-6-17/h5-15H,1-4H3,(H,37,41).
What are the key properties of 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 636.63 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-difluorophenyl)-7-fluoro-2-methylbenzimidazol-5-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71509313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).