tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate

C19H23F2N3O2 — CID 58270831

IUPACtert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2=NC(c3cc(F)cc(F)c3)=NC2)CC1
InChIInChI=1S/C19H23F2N3O2/c1-19(2,3)26-18(25)24-6-4-12(5-7-24)16-11-22-17(23-16)13-8-14(20)10-15(21)9-13/h8-10,12H,4-7,11H2,1-3H3
InChIKeyOMLLJFKYHRACMC-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.81
Rot. Bonds2

About tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate (PubChem CID 58270831) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
PubChem CID58270831
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nametert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2=NC(c3cc(F)cc(F)c3)=NC2)CC1
InChIInChI=1S/C19H23F2N3O2/c1-19(2,3)26-18(25)24-6-4-12(5-7-24)16-11-22-17(23-16)13-8-14(20)10-15(21)9-13/h8-10,12H,4-7,11H2,1-3H3
InChIKeyOMLLJFKYHRACMC-UHFFFAOYSA-N
XLogP3.81
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
CID 162671028
tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate
CID 53328284
tert-butyl 4-[(E)-C-phenyl-N-(trifluoromethyl)carbonimidoyl]piperazine-1-carboxylate
CID 176438508
tert-butyl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270721
tert-butyl 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270845
tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270879
tert-butyl 4-[(1R)-1-phenylethyl]imino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 58699960
tert-butyl 4-[(E)-C-(2,5-difluorophenyl)-N-hydroxycarbonimidoyl]piperazine-1-carboxylate
CID 59252321
tert-butyl 4-[(E)-N-hydroxy-C-(2,3,5-trifluorophenyl)carbonimidoyl]piperazine-1-carboxylate
CID 59252334
tert-butyl 4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]piperazine-1-carboxylate
CID 59598532
Tert-butyl 2-(2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate
CID 60200245
tert-butyl 4-[C-(2,5-difluorophenyl)-N-hydroxycarbonimidoyl]piperazine-1-carboxylate
CID 72262021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate (CID 58270831) is tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2=NC(c3cc(F)cc(F)c3)=NC2)CC1.
What is the InChIKey of tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
The InChIKey is OMLLJFKYHRACMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-19(2,3)26-18(25)24-6-4-12(5-7-24)16-11-22-17(23-16)13-8-14(20)10-15(21)9-13/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).