methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate

C15H12ClN3O2 — CID 843193

IUPACmethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
SMILESCOC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C15H12ClN3O2/c1-21-15(20)18-14-13(10-5-3-2-4-6-10)17-12-8-7-11(16)9-19(12)14/h2-9H,1H3,(H,18,20)
InChIKeyPGWVLAJUEREYOA-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.83
Rot. Bonds2

About methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate

methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate (PubChem CID 843193) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
PubChem CID843193
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Namemethyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate
SMILESCOC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C15H12ClN3O2/c1-21-15(20)18-14-13(10-5-3-2-4-6-10)17-12-8-7-11(16)9-19(12)14/h2-9H,1H3,(H,18,20)
InChIKeyPGWVLAJUEREYOA-UHFFFAOYSA-N
XLogP3.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The IUPAC name of methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate (CID 843193) is methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate.
What is the SMILES notation for methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The canonical SMILES for methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate is COC(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12.
What is the InChIKey of methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
The InChIKey is PGWVLAJUEREYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-15(20)18-14-13(10-5-3-2-4-6-10)17-12-8-7-11(16)9-19(12)14/h2-9H,1H3,(H,18,20).
What are the key properties of methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate?
methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate has a molecular weight of 301.73 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)carbamate is sourced from PubChem (CID 843193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).