4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one

C20H20N4O3 — CID 70560157

IUPAC4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one
SMILESCOc1ccc(-c2nc3ccc(C4(C)C=NNC(=O)C4)cc3[nH]2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-20(10-18(25)24-21-11-20)12-4-7-15-16(8-12)23-19(22-15)14-6-5-13(26-2)9-17(14)27-3/h4-9,11H,10H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyUNGXKMBLZUAUKK-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.01
Rot. Bonds4

About 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one

4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one (PubChem CID 70560157) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one.

Molecular Properties

Compound Name4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one
PubChem CID70560157
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one
SMILESCOc1ccc(-c2nc3ccc(C4(C)C=NNC(=O)C4)cc3[nH]2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-20(10-18(25)24-21-11-20)12-4-7-15-16(8-12)23-19(22-15)14-6-5-13(26-2)9-17(14)27-3/h4-9,11H,10H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyUNGXKMBLZUAUKK-UHFFFAOYSA-N
XLogP3.01
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one?
The IUPAC name of 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one (CID 70560157) is 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one.
What is the SMILES notation for 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one?
The canonical SMILES for 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one is COc1ccc(-c2nc3ccc(C4(C)C=NNC(=O)C4)cc3[nH]2)c(OC)c1.
What is the InChIKey of 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one?
The InChIKey is UNGXKMBLZUAUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(10-18(25)24-21-11-20)12-4-7-15-16(8-12)23-19(22-15)14-6-5-13(26-2)9-17(14)27-3/h4-9,11H,10H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one?
4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one has a molecular weight of 364.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-1,5-dihydropyridazin-6-one is sourced from PubChem (CID 70560157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).