benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate

C23H22N4O2 — CID 134789527

IUPACbenzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1Cc1ccccc1
InChIInChI=1S/C23H22N4O2/c1-17(25-23(28)29-16-19-11-6-3-7-12-19)21-26-20-13-8-14-24-22(20)27(21)15-18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3,(H,25,28)
InChIKeyMTHSEIIYPTYBIE-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.47
Rot. Bonds6

About benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate

benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (PubChem CID 134789527) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
PubChem CID134789527
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Namebenzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1Cc1ccccc1
InChIInChI=1S/C23H22N4O2/c1-17(25-23(28)29-16-19-11-6-3-7-12-19)21-26-20-13-8-14-24-22(20)27(21)15-18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3,(H,25,28)
InChIKeyMTHSEIIYPTYBIE-UHFFFAOYSA-N
XLogP4.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (CID 134789527) is benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1Cc1ccccc1.
What is the InChIKey of benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The InChIKey is MTHSEIIYPTYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-17(25-23(28)29-16-19-11-6-3-7-12-19)21-26-20-13-8-14-24-22(20)27(21)15-18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3,(H,25,28).
What are the key properties of benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate has a molecular weight of 386.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 134789527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).