5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one

C16H14N6O2 — CID 53308327

IUPAC5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCn1cc(-n2ccc(=O)c(Cc3ccc4[nH]c(=O)[nH]c4c3)n2)cn1
InChIInChI=1S/C16H14N6O2/c1-21-9-11(8-17-21)22-5-4-15(23)14(20-22)7-10-2-3-12-13(6-10)19-16(24)18-12/h2-6,8-9H,7H2,1H3,(H2,18,19,24)
InChIKeyYXXFNZJNXCGGPP-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.73
Rot. Bonds3

About 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 53308327) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID53308327
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCn1cc(-n2ccc(=O)c(Cc3ccc4[nH]c(=O)[nH]c4c3)n2)cn1
InChIInChI=1S/C16H14N6O2/c1-21-9-11(8-17-21)22-5-4-15(23)14(20-22)7-10-2-3-12-13(6-10)19-16(24)18-12/h2-6,8-9H,7H2,1H3,(H2,18,19,24)
InChIKeyYXXFNZJNXCGGPP-UHFFFAOYSA-N
XLogP0.73
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one (CID 53308327) is 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one is Cn1cc(-n2ccc(=O)c(Cc3ccc4[nH]c(=O)[nH]c4c3)n2)cn1.
What is the InChIKey of 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YXXFNZJNXCGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-21-9-11(8-17-21)22-5-4-15(23)14(20-22)7-10-2-3-12-13(6-10)19-16(24)18-12/h2-6,8-9H,7H2,1H3,(H2,18,19,24).
What are the key properties of 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 322.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 53308327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).