5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one

C16H12N6OS — CID 135978804

IUPAC5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one
SMILESCSc1nccc(-c2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]n2)n1
InChIInChI=1S/C16H12N6OS/c1-24-16-17-7-6-12(20-16)13-8-9(15(23)22-21-13)14-18-10-4-2-3-5-11(10)19-14/h2-8H,1H3,(H,18,19)(H,22,23)
InChIKeyFNQATQARZMKLRQ-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.49
Rot. Bonds3

About 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one

5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one (PubChem CID 135978804) has the molecular formula C16H12N6OS and a molecular weight of 336.38 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one
PubChem CID135978804
Molecular FormulaC16H12N6OS
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC Name5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one
SMILESCSc1nccc(-c2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]n2)n1
InChIInChI=1S/C16H12N6OS/c1-24-16-17-7-6-12(20-16)13-8-9(15(23)22-21-13)14-18-10-4-2-3-5-11(10)19-14/h2-8H,1H3,(H,18,19)(H,22,23)
InChIKeyFNQATQARZMKLRQ-UHFFFAOYSA-N
XLogP2.49
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 670851
5-(1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 135834134
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
5-(1H-benzimidazol-2-yl)-3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-1H-pyridazin-6-one
CID 135978774
3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one
CID 172707938
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
4-(1H-benzimidazol-2-yl)-3-methoxypyridine-2-carboxylic acid
CID 90027807
2,7-bis(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1H-1,8-naphthyridin-4-one
CID 5472426
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
CID 147955054
3-(1H-benzimidazol-2-yl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 66497017
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one (CID 135978804) is 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one is CSc1nccc(-c2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]n2)n1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one?
The InChIKey is FNQATQARZMKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6OS/c1-24-16-17-7-6-12(20-16)13-8-9(15(23)22-21-13)14-18-10-4-2-3-5-11(10)19-14/h2-8H,1H3,(H,18,19)(H,22,23).
What are the key properties of 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one?
5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one has a molecular weight of 336.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 135978804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).