tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate

C28H29N3O2 — CID 140999725

IUPACtert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate
SMILESCc1cnc(NC(=O)OC(C)(C)C)n1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29N3O2/c1-21-20-29-25(30-26(32)33-27(2,3)4)31(21)28(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,1-4H3,(H,29,30,32)
InChIKeyGNJQNXBZWZAEDB-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.38
Rot. Bonds5

About tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate

tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate (PubChem CID 140999725) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate
PubChem CID140999725
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Nametert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate
SMILESCc1cnc(NC(=O)OC(C)(C)C)n1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29N3O2/c1-21-20-29-25(30-26(32)33-27(2,3)4)31(21)28(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,1-4H3,(H,29,30,32)
InChIKeyGNJQNXBZWZAEDB-UHFFFAOYSA-N
XLogP6.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-phenylpropan-2-ylamino)ethyl]carbamate
CID 10891197
tert-butyl N-[5-(hydroxymethyl)-1-methylimidazol-2-yl]carbamate
CID 146287930
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-trityl-1,2,4-triazol-3-yl)propanoate
CID 90396073
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-triazol-1-yl]acetic acid
CID 129117447
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
tert-butyl N-[5-(2-phenylbutan-2-yl)-1,3-thiazol-4-yl]carbamate
CID 166894240
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate (CID 140999725) is tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate is Cc1cnc(NC(=O)OC(C)(C)C)n1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate?
The InChIKey is GNJQNXBZWZAEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-21-20-29-25(30-26(32)33-27(2,3)4)31(21)28(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-20H,1-4H3,(H,29,30,32).
What are the key properties of tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate?
tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate has a molecular weight of 439.56 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methyl-1-tritylimidazol-2-yl)carbamate is sourced from PubChem (CID 140999725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).