[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone

C19H20N6O — CID 166364630

IUPAC[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)c3cccnn3)CC2)cc1
InChIInChI=1S/C19H20N6O/c1-15-4-6-16(7-5-15)25-10-9-20-19(25)24-13-11-23(12-14-24)18(26)17-3-2-8-21-22-17/h2-10H,11-14H2,1H3
InChIKeyREGYDLXMYOCORO-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.93
Rot. Bonds3

About [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone

[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone (PubChem CID 166364630) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
PubChem CID166364630
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)c3cccnn3)CC2)cc1
InChIInChI=1S/C19H20N6O/c1-15-4-6-16(7-5-15)25-10-9-20-19(25)24-13-11-23(12-14-24)18(26)17-3-2-8-21-22-17/h2-10H,11-14H2,1H3
InChIKeyREGYDLXMYOCORO-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethylphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
CID 25284988
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
CID 25284968
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 42111059
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
CID 25284972
2-ethoxy-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
CID 25284986
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
CID 45284270
(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride
CID 45284274
(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
CID 126857128
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
[4-[1-(3-chlorophenyl)imidazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 42111101
1-methyl-4-(1-phenylimidazol-2-yl)piperazine
CID 21029534

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone (CID 166364630) is [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone is Cc1ccc(-n2ccnc2N2CCN(C(=O)c3cccnn3)CC2)cc1.
What is the InChIKey of [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone?
The InChIKey is REGYDLXMYOCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-15-4-6-16(7-5-15)25-10-9-20-19(25)24-13-11-23(12-14-24)18(26)17-3-2-8-21-22-17/h2-10H,11-14H2,1H3.
What are the key properties of [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone?
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 166364630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).