N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane

C48H39ClFN5O6S — CID 159324286

About N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane

N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane (PubChem CID 159324286) has the molecular formula C48H39ClFN5O6S and a molecular weight of 868.39 g/mol. Its IUPAC name is N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane.

Molecular Properties

• Compound Name: N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane
• PubChem CID: 159324286
• Molecular Formula: C48H39ClFN5O6S
• Molecular Weight: 868.39 g/mol
• Exact Mass: 867.23
• IUPAC Name: N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane
• SMILES: C.CCC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(c3)-c3nc5ccccc5n3CO4)cc12.Clc1ccc2c(c1)-c1nc3ccccc3n1CO2
• InChI: InChI=1S/C33H26FN3O5S.C14H9ClN2O.CH4/c1-4-28(38)31-23-16-22(20-11-14-29-24(15-20)33-35-25-7-5-6-8-26(25)37(33)18-41-29)27(36(2)43(3,39)40)17-30(23)42-32(31)19-9-12-21(34)13-10-19;15-9-5-6-13-10(7-9)14-16-11-3-1-2-4-12(11)17(14)8-18-13;/h5-17H,4,18H2,1-3H3;1-7H,8H2;1H4
• InChIKey: LEDUYHBYUZDPAQ-UHFFFAOYSA-N
• XLogP: 11.60
• TPSA: 121.69 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.39
LogP ≤ 5	11.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane?

The IUPAC name of N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane (CID 159324286) is N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane.

What is the SMILES notation for N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane?

The canonical SMILES for N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane is C.CCC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(c3)-c3nc5ccccc5n3CO4)cc12.Clc1ccc2c(c1)-c1nc3ccccc3n1CO2.

What is the InChIKey of N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane?

The InChIKey is LEDUYHBYUZDPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26FN3O5S.C14H9ClN2O.CH4/c1-4-28(38)31-23-16-22(20-11-14-29-24(15-20)33-35-25-7-5-6-8-26(25)37(33)18-41-29)27(36(2)43(3,39)40)17-30(23)42-32(31)19-9-12-21(34)13-10-19;15-9-5-6-13-10(7-9)14-16-11-3-1-2-4-12(11)17(14)8-18-13;/h5-17H,4,18H2,1-3H3;1-7H,8H2;1H4.

What are the key properties of N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane?

N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane has a molecular weight of 868.39 g/mol, XLogP of 11.60, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6H-benzimidazolo[1,2-c][1,3]benzoxazin-2-yl)-2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-6-yl]-N-methylmethanesulfonamide;2-chloro-6H-benzimidazolo[1,2-c][1,3]benzoxazine;methane is sourced from PubChem (CID 159324286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).