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

C33H28F2N4O5S — CID 89435990

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

2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 89435990) has the molecular formula C33H28F2N4O5S and a molecular weight of 630.67 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 89435990
• Molecular Formula: C33H28F2N4O5S
• Molecular Weight: 630.67 g/mol
• Exact Mass: 630.17
• IUPAC Name: 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(OC)c4nc(C)n(-c5ccc(F)cc5)c4c3)cc12
• InChI: InChI=1S/C33H28F2N4O5S/c1-18-37-31-27(39(18)23-12-10-22(35)11-13-23)14-20(15-29(31)43-4)24-16-25-28(17-26(24)38(3)45(5,41)42)44-32(30(25)33(40)36-2)19-6-8-21(34)9-7-19/h6-17H,1-5H3,(H,36,40)
• InChIKey: ZERFGGPCVKETOB-UHFFFAOYSA-N
• XLogP: 6.46
• 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	630.67
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 89435990) is 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-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(OC)c4nc(C)n(-c5ccc(F)cc5)c4c3)cc12.

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

The InChIKey is ZERFGGPCVKETOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F2N4O5S/c1-18-37-31-27(39(18)23-12-10-22(35)11-13-23)14-20(15-29(31)43-4)24-16-25-28(17-26(24)38(3)45(5,41)42)44-32(30(25)33(40)36-2)19-6-8-21(34)9-7-19/h6-17H,1-5H3,(H,36,40).

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

2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 630.67 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-7-methoxy-2-methylbenzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 89435990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).