4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one

C19H18N4O2 — CID 70061890

IUPAC4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(-c2nc3ccc(C4C=NNC(=O)C4C)cc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2/c1-11-15(10-20-23-19(11)24)13-5-8-16-17(9-13)22-18(21-16)12-3-6-14(25-2)7-4-12/h3-11,15H,1-2H3,(H,21,22)(H,23,24)
InChIKeyLUVOPRDBJANWJR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.07
Rot. Bonds3

About 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one

4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 70061890) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID70061890
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(-c2nc3ccc(C4C=NNC(=O)C4C)cc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2/c1-11-15(10-20-23-19(11)24)13-5-8-16-17(9-13)22-18(21-16)12-3-6-14(25-2)7-4-12/h3-11,15H,1-2H3,(H,21,22)(H,23,24)
InChIKeyLUVOPRDBJANWJR-UHFFFAOYSA-N
XLogP3.07
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 6918916
6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
CID 3007943
methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 53472132
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
1,4-dioxane;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 67240663
1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea
CID 2488329
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 76974491
4-methyl-3-[2-[4-(trideuteriomethoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 169445678

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 70061890) is 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(-c2nc3ccc(C4C=NNC(=O)C4C)cc3[nH]2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is LUVOPRDBJANWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-15(10-20-23-19(11)24)13-5-8-16-17(9-13)22-18(21-16)12-3-6-14(25-2)7-4-12/h3-11,15H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one?
4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 334.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-5-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 70061890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).