3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one

C14H12N4O — CID 13475881

IUPAC3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one
SMILESCn1cc(-c2ccc(=O)[nH]n2)nc1-c1ccccc1
InChIInChI=1S/C14H12N4O/c1-18-9-12(11-7-8-13(19)17-16-11)15-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)
InChIKeyLHJRNBMQDFCVNW-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.84
Rot. Bonds2

About 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one

3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one (PubChem CID 13475881) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one
PubChem CID13475881
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one
SMILESCn1cc(-c2ccc(=O)[nH]n2)nc1-c1ccccc1
InChIInChI=1S/C14H12N4O/c1-18-9-12(11-7-8-13(19)17-16-11)15-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)
InChIKeyLHJRNBMQDFCVNW-UHFFFAOYSA-N
XLogP1.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imazodan
CID 55918
4,5-Dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone
CID 3021729
N-acetyl-N-[1-(benzalamino)-4-phenyl-imidazol-2-yl]acetamide
CID 9557161
Imazodan Hydrochloride
CID 55917
CI-930 hydrochloride
CID 3021728
2-[(2E)-2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135576611
2-(1H-benzimidazol-1-yl)-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide
CID 9629402
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
CID 9677330
2-Methyl-6-phenylimidazo[1,2-b][1,2,4]triazin-3(4H)-one
CID 135408195
7-Methyl-2-phenylimidazo[1,2-a]pyrimidin-5-ol
CID 2763440
(E)-4,5-dihydro-6-(2-(4-(1H-imidazol-1-yl) phenyl)ethenyl)-3(2h)-pyridazinone
CID 13535424
7-Methyl-2-(4-methylphenyl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
CID 118631136

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one (CID 13475881) is 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one is Cn1cc(-c2ccc(=O)[nH]n2)nc1-c1ccccc1.
What is the InChIKey of 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one?
The InChIKey is LHJRNBMQDFCVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-18-9-12(11-7-8-13(19)17-16-11)15-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19).
What are the key properties of 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one?
3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one has a molecular weight of 252.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 13475881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).