N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

C20H14Cl3N3O3 — CID 19415493

About N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide

N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19415493) has the molecular formula C20H14Cl3N3O3 and a molecular weight of 450.71 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19415493
• Molecular Formula: C20H14Cl3N3O3
• Molecular Weight: 450.71 g/mol
• Exact Mass: 449.01
• IUPAC Name: N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
• SMILES: Cn1c(NC(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)nc2ccccc21
• InChI: InChI=1S/C20H14Cl3N3O3/c1-26-16-5-3-2-4-15(16)24-20(26)25-19(27)17-7-6-12(29-17)10-28-18-13(22)8-11(21)9-14(18)23/h2-9H,10H2,1H3,(H,24,25,27)
• InChIKey: SVHCXWXRRCJDPB-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.71
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide (CID 19415493) is N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is Cn1c(NC(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)nc2ccccc21.

What is the InChIKey of N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?

The InChIKey is SVHCXWXRRCJDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N3O3/c1-26-16-5-3-2-4-15(16)24-20(26)25-19(27)17-7-6-12(29-17)10-28-18-13(22)8-11(21)9-14(18)23/h2-9H,10H2,1H3,(H,24,25,27).

What are the key properties of N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide?

N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 450.71 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19415493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).