2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

C17H15ClN4O2 — CID 130330750

IUPAC2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(Oc2cccc(Cl)c2)n1C)c1cccnc1
InChIInChI=1S/C17H15ClN4O2/c1-21(13-6-4-8-19-10-13)16(23)15-11-20-17(22(15)2)24-14-7-3-5-12(18)9-14/h3-11H,1-2H3
InChIKeyIRRVGGJQXYPMFU-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 130330750) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID130330750
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(Oc2cccc(Cl)c2)n1C)c1cccnc1
InChIInChI=1S/C17H15ClN4O2/c1-21(13-6-4-8-19-10-13)16(23)15-11-20-17(22(15)2)24-14-7-3-5-12(18)9-14/h3-11H,1-2H3
InChIKeyIRRVGGJQXYPMFU-UHFFFAOYSA-N
XLogP3.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (CID 130330750) is 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is CN(C(=O)c1cnc(Oc2cccc(Cl)c2)n1C)c1cccnc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is IRRVGGJQXYPMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-21(13-6-4-8-19-10-13)16(23)15-11-20-17(22(15)2)24-14-7-3-5-12(18)9-14/h3-11H,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 130330750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).