N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

C13H12Cl3N3O2 — CID 13044632

IUPACN-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
SMILESCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
InChIInChI=1S/C13H12Cl3N3O2/c1-18(13(20)19-3-2-17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h2-3,6-8H,4-5H2,1H3
InChIKeyFZTGDVYCUOQXBJ-UHFFFAOYSA-N
MW348.62 g/mol
LogP3.82
Rot. Bonds4

About N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (PubChem CID 13044632) has the molecular formula C13H12Cl3N3O2 and a molecular weight of 348.62 g/mol. Its IUPAC name is N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
PubChem CID13044632
Molecular FormulaC13H12Cl3N3O2
Molecular Weight348.62 g/mol
Exact Mass347.00
IUPAC NameN-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
SMILESCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
InChIInChI=1S/C13H12Cl3N3O2/c1-18(13(20)19-3-2-17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h2-3,6-8H,4-5H2,1H3
InChIKeyFZTGDVYCUOQXBJ-UHFFFAOYSA-N
XLogP3.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (CID 13044632) is N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is CN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.
What is the InChIKey of N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The InChIKey is FZTGDVYCUOQXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3O2/c1-18(13(20)19-3-2-17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h2-3,6-8H,4-5H2,1H3.
What are the key properties of N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide has a molecular weight of 348.62 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 13044632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).