tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate

C20H20BrN3O3 — CID 45277867

IUPACtert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1Br)C(=O)c1cn2ccccc2n1
InChIInChI=1S/C20H20BrN3O3/c1-20(2,3)27-19(26)24(12-14-8-4-5-9-15(14)21)18(25)16-13-23-11-7-6-10-17(23)22-16/h4-11,13H,12H2,1-3H3
InChIKeyMBWLYGBHKRKNDL-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.67
Rot. Bonds3

About tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate

tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate (PubChem CID 45277867) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate
PubChem CID45277867
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Nametert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1Br)C(=O)c1cn2ccccc2n1
InChIInChI=1S/C20H20BrN3O3/c1-20(2,3)27-19(26)24(12-14-8-4-5-9-15(14)21)18(25)16-13-23-11-7-6-10-17(23)22-16/h4-11,13H,12H2,1-3H3
InChIKeyMBWLYGBHKRKNDL-UHFFFAOYSA-N
XLogP4.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(E)-2-imidazo[1,2-a]pyridin-2-ylpent-2-enyl]carbamate
CID 155191227
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 53193511
methyl 2-[imidazo[1,2-a]pyridine-2-carbonyl(methyl)amino]acetate
CID 43408804
tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate
CID 80999369
tert-butyl N-[(2-bromophenyl)methyl]-N-(trideuteriomethyl)carbamate
CID 155291914
tert-butyl N-[(3-bromo-4-pyridinyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118318074
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
methyl 2-[imidazo[1,2-a]pyridine-2-carbonyl(propyl)amino]acetate
CID 60778991
tert-butyl N-[2-[(2-bromophenyl)methyl-methylamino]ethyl]-N-methylcarbamate
CID 162438476
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
3-[(2-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 102104430

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate?
The IUPAC name of tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate (CID 45277867) is tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1Br)C(=O)c1cn2ccccc2n1.
What is the InChIKey of tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate?
The InChIKey is MBWLYGBHKRKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-20(2,3)27-19(26)24(12-14-8-4-5-9-15(14)21)18(25)16-13-23-11-7-6-10-17(23)22-16/h4-11,13H,12H2,1-3H3.
What are the key properties of tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate?
tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate has a molecular weight of 430.30 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate is sourced from PubChem (CID 45277867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).