[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate

C16H14ClN3O2 — CID 852406

IUPAC[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(-c2cn3cc(Cl)ccc3n2)c1
InChIInChI=1S/C16H14ClN3O2/c1-19(2)16(21)22-13-5-3-4-11(8-13)14-10-20-9-12(17)6-7-15(20)18-14/h3-10H,1-2H3
InChIKeyIEDZSHDNWUKYFJ-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.72
Rot. Bonds2

About [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate

[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate (PubChem CID 852406) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate
PubChem CID852406
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(-c2cn3cc(Cl)ccc3n2)c1
InChIInChI=1S/C16H14ClN3O2/c1-19(2)16(21)22-13-5-3-4-11(8-13)14-10-20-9-12(17)6-7-15(20)18-14/h3-10H,1-2H3
InChIKeyIEDZSHDNWUKYFJ-UHFFFAOYSA-N
XLogP3.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate (CID 852406) is [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc(-c2cn3cc(Cl)ccc3n2)c1.
What is the InChIKey of [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate?
The InChIKey is IEDZSHDNWUKYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-19(2)16(21)22-13-5-3-4-11(8-13)14-10-20-9-12(17)6-7-15(20)18-14/h3-10H,1-2H3.
What are the key properties of [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate?
[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate has a molecular weight of 315.76 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 852406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).