2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide

C14H9F2N3OS — CID 46206215

IUPAC2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)[nH]c1-c1cccs1
InChIInChI=1S/C14H9F2N3OS/c15-7-3-1-4-8(16)10(7)14-18-11(9-5-2-6-21-9)12(19-14)13(17)20/h1-6H,(H2,17,20)(H,18,19)
InChIKeyNGUMIUGKXPXMBF-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.18
Rot. Bonds3

About 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide

2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide (PubChem CID 46206215) has the molecular formula C14H9F2N3OS and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide
PubChem CID46206215
Molecular FormulaC14H9F2N3OS
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)[nH]c1-c1cccs1
InChIInChI=1S/C14H9F2N3OS/c15-7-3-1-4-8(16)10(7)14-18-11(9-5-2-6-21-9)12(19-14)13(17)20/h1-6H,(H2,17,20)(H,18,19)
InChIKeyNGUMIUGKXPXMBF-UHFFFAOYSA-N
XLogP3.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide (CID 46206215) is 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2F)[nH]c1-c1cccs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide?
The InChIKey is NGUMIUGKXPXMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3OS/c15-7-3-1-4-8(16)10(7)14-18-11(9-5-2-6-21-9)12(19-14)13(17)20/h1-6H,(H2,17,20)(H,18,19).
What are the key properties of 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-thiophen-2-yl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 46206215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).