tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C23H25Cl2N5O3 — CID 71498282

IUPACtert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(-n3cnc(-c4ccc(Cl)c(Cl)c4)c3)ncn2)CC1
InChIInChI=1S/C23H25Cl2N5O3/c1-23(2,3)33-22(31)29-8-6-16(7-9-29)32-21-11-20(26-13-27-21)30-12-19(28-14-30)15-4-5-17(24)18(25)10-15/h4-5,10-14,16H,6-9H2,1-3H3
InChIKeyVGLCOLVBKXKQLF-UHFFFAOYSA-N
MW490.39 g/mol
LogP5.41
Rot. Bonds4

About tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 71498282) has the molecular formula C23H25Cl2N5O3 and a molecular weight of 490.39 g/mol. Its IUPAC name is tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID71498282
Molecular FormulaC23H25Cl2N5O3
Molecular Weight490.39 g/mol
Exact Mass489.13
IUPAC Nametert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(-n3cnc(-c4ccc(Cl)c(Cl)c4)c3)ncn2)CC1
InChIInChI=1S/C23H25Cl2N5O3/c1-23(2,3)33-22(31)29-8-6-16(7-9-29)32-21-11-20(26-13-27-21)30-12-19(28-14-30)15-4-5-17(24)18(25)10-15/h4-5,10-14,16H,6-9H2,1-3H3
InChIKeyVGLCOLVBKXKQLF-UHFFFAOYSA-N
XLogP5.41
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.39
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[6-[4-(2-methylsulfanylphenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 71498243
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 71497994
tert-butyl 4-[2-[(3,4-dichlorophenyl)methyl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 167388806
tert-butyl 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxylate
CID 11212544
tert-butyl 4-(4-chloro-3-fluorophenoxy)piperidine-1-carboxylate
CID 24902450
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
CID 71629716

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 71498282) is tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cc(-n3cnc(-c4ccc(Cl)c(Cl)c4)c3)ncn2)CC1.
What is the InChIKey of tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is VGLCOLVBKXKQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O3/c1-23(2,3)33-22(31)29-8-6-16(7-9-29)32-21-11-20(26-13-27-21)30-12-19(28-14-30)15-4-5-17(24)18(25)10-15/h4-5,10-14,16H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 490.39 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 71498282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).