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

C21H26N4O4 — CID 53472132

IUPACmethanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCO.CO.COc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2.2CH4O/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12;2*1-2/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24);2*2H,1H3
InChIKeyPHPRRSGINISSGS-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.32
Rot. Bonds3

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

methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 53472132) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Namemethanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID53472132
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Namemethanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCO.CO.COc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2.2CH4O/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12;2*1-2/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24);2*2H,1H3
InChIKeyPHPRRSGINISSGS-UHFFFAOYSA-N
XLogP2.32
TPSA119.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 53472132) is methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CO.CO.COc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1.
What is the InChIKey of methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PHPRRSGINISSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.2CH4O/c1-11-9-17(24)22-23-18(11)13-5-8-15-16(10-13)21-19(20-15)12-3-6-14(25-2)7-4-12;2*1-2/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24);2*2H,1H3.
What are the key properties of methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 398.46 g/mol, XLogP of 2.32, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 53472132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).