tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate

C15H22N2O2 — CID 155385115

IUPACtert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate
SMILESCC1NC(c2ccccc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-11-16-13(12-8-6-5-7-9-12)10-17(11)14(18)19-15(2,3)4/h5-9,11,13,16H,10H2,1-4H3
InChIKeyANOCWDMKXBQODD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.91
Rot. Bonds1

About tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate

tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate (PubChem CID 155385115) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate
PubChem CID155385115
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate
SMILESCC1NC(c2ccccc2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O2/c1-11-16-13(12-8-6-5-7-9-12)10-17(11)14(18)19-15(2,3)4/h5-9,11,13,16H,10H2,1-4H3
InChIKeyANOCWDMKXBQODD-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate
CID 155394671
tert-butyl 4-methyl-2-phenylpyrrolidine-1-carboxylate
CID 170718600
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylazetidine-2-carboxylic acid
CID 171397063
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl (2R)-2-methyl-4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 100624275
tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
CID 11414318
tert-butyl (1R,5R,6S)-6-phenyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 178086462
tert-butyl 2-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 85431629
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpiperidine-4-carboxylic acid
CID 45073944
tert-butyl 2-ethenyl-4-phenylpyrrolidine-1-carboxylate
CID 90383971

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate (CID 155385115) is tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate is CC1NC(c2ccccc2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate?
The InChIKey is ANOCWDMKXBQODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-16-13(12-8-6-5-7-9-12)10-17(11)14(18)19-15(2,3)4/h5-9,11,13,16H,10H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate?
tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-phenylimidazolidine-1-carboxylate is sourced from PubChem (CID 155385115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).