4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C18H20N4O — CID 14032753

IUPAC4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(-n2cnc3c2CCCC3)cc1
InChIInChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
InChIKeyKDEKNYKHIZTSLE-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.61
Rot. Bonds2

About 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 14032753) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID14032753
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(-n2cnc3c2CCCC3)cc1
InChIInChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
InChIKeyKDEKNYKHIZTSLE-UHFFFAOYSA-N
XLogP2.61
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 14032753) is 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(-n2cnc3c2CCCC3)cc1.
What is the InChIKey of 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KDEKNYKHIZTSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23).
What are the key properties of 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 308.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 14032753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).