tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate

C24H32N2O3 — CID 5231720

IUPACtert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate
SMILESCC(C)N1CC(C(O)(c2ccccc2)c2ccccc2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H32N2O3/c1-18(2)25-16-21(26(17-25)22(27)29-23(3,4)5)24(28,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21,28H,16-17H2,1-5H3
InChIKeyHBTWCDPUOCLMTL-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate

tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate (PubChem CID 5231720) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate
PubChem CID5231720
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nametert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate
SMILESCC(C)N1CC(C(O)(c2ccccc2)c2ccccc2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H32N2O3/c1-18(2)25-16-21(26(17-25)22(27)29-23(3,4)5)24(28,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21,28H,16-17H2,1-5H3
InChIKeyHBTWCDPUOCLMTL-UHFFFAOYSA-N
XLogP4.21
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]-2,3-dihydroindole-1-carboxylate
CID 10739815
tert-butyl (2S,3S)-2-[hydroxy(diphenyl)methyl]-3-methylaziridine-1-carboxylate
CID 11515617
tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate
CID 11808760
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl (2R,3R,4R)-3,4-diphenyl-2-trimethylsilylpyrrolidine-1-carboxylate
CID 101207425
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylazetidine-2-carboxylic acid
CID 171397063
tert-butyl (2S)-7-chloro-2-[hydroxy(diphenyl)methyl]-2,3-dihydroindole-1-carboxylate
CID 10526899
tert-butyl (2S)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 101333766
tert-butyl 4-benzhydryl-2-(2,2-diphenylethyl)pyrrolidine-1-carboxylate
CID 90384844
[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
CID 101268186
tert-butyl 2-[hydroxy(diphenyl)methyl]-5-oxo-2H-pyrrole-1-carboxylate
CID 139246468
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate (CID 5231720) is tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate is CC(C)N1CC(C(O)(c2ccccc2)c2ccccc2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate?
The InChIKey is HBTWCDPUOCLMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18(2)25-16-21(26(17-25)22(27)29-23(3,4)5)24(28,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21,28H,16-17H2,1-5H3.
What are the key properties of tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate?
tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate has a molecular weight of 396.53 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[hydroxy(diphenyl)methyl]-3-propan-2-ylimidazolidine-1-carboxylate is sourced from PubChem (CID 5231720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).