1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

C24H24N4O3 — CID 161256236

About 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 161256236) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

• Compound Name: 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
• PubChem CID: 161256236
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
• SMILES: COCC(=O)Cc1cc(Oc2ccc3c(c2)nc(Nc2ccc(C)cc2)n3C)ccn1
• InChI: InChI=1S/C24H24N4O3/c1-16-4-6-17(7-5-16)26-24-27-22-14-20(8-9-23(22)28(24)2)31-21-10-11-25-18(13-21)12-19(29)15-30-3/h4-11,13-14H,12,15H2,1-3H3,(H,26,27)
• InChIKey: MYUHSUZQVSHBGY-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?

The IUPAC name of 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (CID 161256236) is 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.

What is the SMILES notation for 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?

The canonical SMILES for 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is COCC(=O)Cc1cc(Oc2ccc3c(c2)nc(Nc2ccc(C)cc2)n3C)ccn1.

What is the InChIKey of 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?

The InChIKey is MYUHSUZQVSHBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-4-6-17(7-5-16)26-24-27-22-14-20(8-9-23(22)28(24)2)31-21-10-11-25-18(13-21)12-19(29)15-30-3/h4-11,13-14H,12,15H2,1-3H3,(H,26,27).

What are the key properties of 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?

1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 416.48 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 161256236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).