2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one

C21H23N5O2 — CID 71781081

IUPAC2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C21H23N5O2/c1-24-19(27)8-7-18(23-24)21(28)25-12-9-16(10-13-25)15-26-14-11-22-20(26)17-5-3-2-4-6-17/h2-8,11,14,16H,9-10,12-13,15H2,1H3
InChIKeyVSJYFSFWQIKXJM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.20
Rot. Bonds4

About 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 71781081) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
PubChem CID71781081
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C21H23N5O2/c1-24-19(27)8-7-18(23-24)21(28)25-12-9-16(10-13-25)15-26-14-11-22-20(26)17-5-3-2-4-6-17/h2-8,11,14,16H,9-10,12-13,15H2,1H3
InChIKeyVSJYFSFWQIKXJM-UHFFFAOYSA-N
XLogP2.20
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493470
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90493280
[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493030
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90493537
6-(4-benzylsulfonylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121022762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one (CID 71781081) is 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)ccc1=O.
What is the InChIKey of 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is VSJYFSFWQIKXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-19(27)8-7-18(23-24)21(28)25-12-9-16(10-13-25)15-26-14-11-22-20(26)17-5-3-2-4-6-17/h2-8,11,14,16H,9-10,12-13,15H2,1H3.
What are the key properties of 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 377.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 71781081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).