2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione

C23H19Cl2N5O3 — CID 3381675

IUPAC2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione
SMILESO=C(c1nc(Cl)ccc1Cl)N1CCC(c2nccn2CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H19Cl2N5O3/c24-17-5-6-18(25)27-19(17)23(33)28-10-7-14(8-11-28)20-26-9-12-29(20)13-30-21(31)15-3-1-2-4-16(15)22(30)32/h1-6,9,12,14H,7-8,10-11,13H2
InChIKeyOMMPMGCIINNOMZ-UHFFFAOYSA-N
MW484.34 g/mol
LogP3.86
Rot. Bonds4

About 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione

2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione (PubChem CID 3381675) has the molecular formula C23H19Cl2N5O3 and a molecular weight of 484.34 g/mol. Its IUPAC name is 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione
PubChem CID3381675
Molecular FormulaC23H19Cl2N5O3
Molecular Weight484.34 g/mol
Exact Mass483.09
IUPAC Name2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione
SMILESO=C(c1nc(Cl)ccc1Cl)N1CCC(c2nccn2CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H19Cl2N5O3/c24-17-5-6-18(25)27-19(17)23(33)28-10-7-14(8-11-28)20-26-9-12-29(20)13-30-21(31)15-3-1-2-4-16(15)22(30)32/h1-6,9,12,14H,7-8,10-11,13H2
InChIKeyOMMPMGCIINNOMZ-UHFFFAOYSA-N
XLogP3.86
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3,6-dichloro-2-pyridinyl)-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3856154
(3,6-dichloro-2-pyridinyl)-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3586149
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3770108
(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103723510
(3,6-dichloro-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
2-[[2-[1-[3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione
CID 3499182
3-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 5174025
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677851
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 72900369
3-[[2-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one
CID 3853924
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 5173775
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione (CID 3381675) is 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione is O=C(c1nc(Cl)ccc1Cl)N1CCC(c2nccn2CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is OMMPMGCIINNOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O3/c24-17-5-6-18(25)27-19(17)23(33)28-10-7-14(8-11-28)20-26-9-12-29(20)13-30-21(31)15-3-1-2-4-16(15)22(30)32/h1-6,9,12,14H,7-8,10-11,13H2.
What are the key properties of 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione?
2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 484.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(3,6-dichloropyridine-2-carbonyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 3381675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).