4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

C19H18N4O2 — CID 76974491

IUPAC4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILES[2H][13C]([2H])([2H])Oc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2/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/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)/i2+1D3
InChIKeyGLBJJMFZWDBELO-JVXUGDAPSA-N
MW338.39 g/mol
LogP3.10
Rot. Bonds4

About 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one

4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 76974491) has the molecular formula C19H18N4O2 and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID76974491
Molecular FormulaC19H18N4O2
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILES[2H][13C]([2H])([2H])Oc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1
InChIInChI=1S/C19H18N4O2/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/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)/i2+1D3
InChIKeyGLBJJMFZWDBELO-JVXUGDAPSA-N
XLogP3.10
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[2-[4-(trideuteriomethoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 169445678
(4S)-3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 6918916
methanol;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 53472132
1,4-dioxane;3-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 67240663
4-methyl-3-[2-(1-oxo-1,4-thiazinan-4-yl)-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 70384975
(4R)-3-(3,4-difluorophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 71576736
3-[2-(4-ethoxyphenyl)-1,3-benzoxazol-6-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 123498547
(4R)-3-(4-bromophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 154664066
3-[2-[2-amino-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 50925376
5-(3,4-diaminophenyl)-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one;5-[2-(3-methoxyphenyl)-3H-benzimidazol-5-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
CID 157387380
3-(3-hydroxybenzotriazol-5-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 2874648
3-[4-(3,5-dimethoxyanilino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 171679012

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one (CID 76974491) is 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one is [2H][13C]([2H])([2H])Oc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3[nH]2)cc1.
What is the InChIKey of 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GLBJJMFZWDBELO-JVXUGDAPSA-N. The full InChI is InChI=1S/C19H18N4O2/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/h3-8,10-11H,9H2,1-2H3,(H,20,21)(H,22,24)/i2+1D3.
What are the key properties of 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one?
4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 338.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[4-(trideuterio(113C)methoxy)phenyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 76974491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).