benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate

C17H17N3O2 — CID 58796844

IUPACbenzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)c1cn2ccccc2n1
InChIInChI=1S/C17H17N3O2/c1-13(15-11-20-10-6-5-9-16(20)19-15)18-17(21)22-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyBMKNLVYEFVEGHK-CYBMUJFWSA-N
MW295.34 g/mol
LogP3.32
Rot. Bonds4

About benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate

benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate (PubChem CID 58796844) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate
PubChem CID58796844
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Namebenzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)c1cn2ccccc2n1
InChIInChI=1S/C17H17N3O2/c1-13(15-11-20-10-6-5-9-16(20)19-15)18-17(21)22-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyBMKNLVYEFVEGHK-CYBMUJFWSA-N
XLogP3.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-imidazo[1,2-b]pyridazin-2-ylethyl)carbamate
CID 67433032
benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate
CID 58796860
benzyl N-[(1S)-1-quinoxalin-2-ylethyl]carbamate
CID 10804659
benzyl N-[(1S)-1-(6-chloropyridazin-3-yl)ethyl]carbamate
CID 26370266
benzyl N-[(1S)-1-[1-(ethoxymethyl)imidazol-4-yl]ethyl]carbamate
CID 102036194
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
3-phenyl-2-[1-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 67432387
benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
CID 67432906
benzyl N-[(1S)-1-(2-bromophenyl)ethyl]carbamate
CID 130164899
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate (CID 58796844) is benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate is C[C@@H](NC(=O)OCc1ccccc1)c1cn2ccccc2n1.
What is the InChIKey of benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate?
The InChIKey is BMKNLVYEFVEGHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13(15-11-20-10-6-5-9-16(20)19-15)18-17(21)22-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate?
benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate is sourced from PubChem (CID 58796844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).