5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one

C17H13N5O2 — CID 69199837

IUPAC5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one
SMILESCOc1ccc2nc(-c3ccnc(-c4ccn[nH]c4=O)c3)[nH]c2c1
InChIInChI=1S/C17H13N5O2/c1-24-11-2-3-13-15(9-11)21-16(20-13)10-4-6-18-14(8-10)12-5-7-19-22-17(12)23/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyDHIHMWKIEGNACH-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.38
Rot. Bonds3

About 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one

5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one (PubChem CID 69199837) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one
PubChem CID69199837
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one
SMILESCOc1ccc2nc(-c3ccnc(-c4ccn[nH]c4=O)c3)[nH]c2c1
InChIInChI=1S/C17H13N5O2/c1-24-11-2-3-13-15(9-11)21-16(20-13)10-4-6-18-14(8-10)12-5-7-19-22-17(12)23/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyDHIHMWKIEGNACH-UHFFFAOYSA-N
XLogP2.38
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 155817119
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
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4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
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CID 110538781

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one (CID 69199837) is 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one is COc1ccc2nc(-c3ccnc(-c4ccn[nH]c4=O)c3)[nH]c2c1.
What is the InChIKey of 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one?
The InChIKey is DHIHMWKIEGNACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-24-11-2-3-13-15(9-11)21-16(20-13)10-4-6-18-14(8-10)12-5-7-19-22-17(12)23/h2-9H,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one?
5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one has a molecular weight of 319.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-methoxy-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 69199837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).