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

C34H31FN4O5S — CID 126602710

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

5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 126602710) has the molecular formula C34H31FN4O5S and a molecular weight of 626.71 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• PubChem CID: 126602710
• Molecular Formula: C34H31FN4O5S
• Molecular Weight: 626.71 g/mol
• Exact Mass: 626.20
• IUPAC Name: 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(OC)c4nc(C)n(-c5ccc(F)cc5)c4c3)cc12
• InChI: InChI=1S/C34H31FN4O5S/c1-19-7-9-21(10-8-19)33-31(34(40)36-3)26-17-25(27(18-29(26)44-33)38(4)45(6,41)42)22-15-28-32(30(16-22)43-5)37-20(2)39(28)24-13-11-23(35)12-14-24/h7-18H,1-6H3,(H,36,40)
• InChIKey: NHZRNMFPDMQYMY-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 106.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.71
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The IUPAC name of 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide (CID 126602710) is 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(OC)c4nc(C)n(-c5ccc(F)cc5)c4c3)cc12.

What is the InChIKey of 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

The InChIKey is NHZRNMFPDMQYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN4O5S/c1-19-7-9-21(10-8-19)33-31(34(40)36-3)26-17-25(27(18-29(26)44-33)38(4)45(6,41)42)22-15-28-32(30(16-22)43-5)37-20(2)39(28)24-13-11-23(35)12-14-24/h7-18H,1-6H3,(H,36,40).

What are the key properties of 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide?

5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 626.71 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126602710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).