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

C23H29N5O2 — CID 70909045

IUPACtert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2=NCC(c3cnc(-c4ccccc4)nc3)N2)C1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)30-22(29)28-11-7-10-17(15-28)21-26-14-19(27-21)18-12-24-20(25-13-18)16-8-5-4-6-9-16/h4-6,8-9,12-13,17,19H,7,10-11,14-15H2,1-3H3,(H,26,27)
InChIKeyLPFYMCZUYBPCCC-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.83
Rot. Bonds3

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

tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 70909045) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate
PubChem CID70909045
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Nametert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2=NCC(c3cnc(-c4ccccc4)nc3)N2)C1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)30-22(29)28-11-7-10-17(15-28)21-26-14-19(27-21)18-12-24-20(25-13-18)16-8-5-4-6-9-16/h4-6,8-9,12-13,17,19H,7,10-11,14-15H2,1-3H3,(H,26,27)
InChIKeyLPFYMCZUYBPCCC-UHFFFAOYSA-N
XLogP3.83
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 175660564
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 110162076
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 3-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-1-carboxylate
CID 139481930

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate (CID 70909045) is tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2=NCC(c3cnc(-c4ccccc4)nc3)N2)C1.
What is the InChIKey of tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is LPFYMCZUYBPCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-23(2,3)30-22(29)28-11-7-10-17(15-28)21-26-14-19(27-21)18-12-24-20(25-13-18)16-8-5-4-6-9-16/h4-6,8-9,12-13,17,19H,7,10-11,14-15H2,1-3H3,(H,26,27).
What are the key properties of tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate?
tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 407.52 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-(2-phenylpyrimidin-5-yl)-4,5-dihydro-1H-imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70909045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).