4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide

C11H9Br2F2N3OS — CID 38341672

IUPAC4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H9Br2F2N3OS/c1-17(5-8-16-2-3-18(8)11(14)15)10(19)7-4-6(12)9(13)20-7/h2-4,11H,5H2,1H3
InChIKeyVKECSPUNECTANJ-UHFFFAOYSA-N
MW429.08 g/mol
LogP4.14
Rot. Bonds4

About 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide

4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide (PubChem CID 38341672) has the molecular formula C11H9Br2F2N3OS and a molecular weight of 429.08 g/mol. Its IUPAC name is 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide
PubChem CID38341672
Molecular FormulaC11H9Br2F2N3OS
Molecular Weight429.08 g/mol
Exact Mass426.88
IUPAC Name4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H9Br2F2N3OS/c1-17(5-8-16-2-3-18(8)11(14)15)10(19)7-4-6(12)9(13)20-7/h2-4,11H,5H2,1H3
InChIKeyVKECSPUNECTANJ-UHFFFAOYSA-N
XLogP4.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.08
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide (CID 38341672) is 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide is CN(Cc1nccn1C(F)F)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is VKECSPUNECTANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2F2N3OS/c1-17(5-8-16-2-3-18(8)11(14)15)10(19)7-4-6(12)9(13)20-7/h2-4,11H,5H2,1H3.
What are the key properties of 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide?
4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 429.08 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 38341672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).