[2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate

C12H12ClN3O3 — CID 171984887

IUPAC[2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(-n2ccn(C)c2=O)ccc1Cl
InChIInChI=1S/C12H12ClN3O3/c1-14-11(17)19-10-7-8(3-4-9(10)13)16-6-5-15(2)12(16)18/h3-7H,1-2H3,(H,14,17)
InChIKeyGRJWONHQJAXAQG-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.55
Rot. Bonds2

About [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate

[2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate (PubChem CID 171984887) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate
PubChem CID171984887
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name[2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(-n2ccn(C)c2=O)ccc1Cl
InChIInChI=1S/C12H12ClN3O3/c1-14-11(17)19-10-7-8(3-4-9(10)13)16-6-5-15(2)12(16)18/h3-7H,1-2H3,(H,14,17)
InChIKeyGRJWONHQJAXAQG-UHFFFAOYSA-N
XLogP1.55
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate?
The IUPAC name of [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate (CID 171984887) is [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate.
What is the SMILES notation for [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate?
The canonical SMILES for [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate is CNC(=O)Oc1cc(-n2ccn(C)c2=O)ccc1Cl.
What is the InChIKey of [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate?
The InChIKey is GRJWONHQJAXAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c1-14-11(17)19-10-7-8(3-4-9(10)13)16-6-5-15(2)12(16)18/h3-7H,1-2H3,(H,14,17).
What are the key properties of [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate?
[2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate has a molecular weight of 281.70 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(3-methyl-2-oxoimidazol-1-yl)phenyl] N-methylcarbamate is sourced from PubChem (CID 171984887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).