5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C20H14ClFN4O2S — CID 24760306

IUPAC5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(-n3ccc(F)cc3=O)cc2)cn1)c1ccc(Cl)s1
InChIInChI=1S/C20H14ClFN4O2S/c21-18-6-5-17(29-18)20(28)23-10-14-11-25(12-24-14)15-1-3-16(4-2-15)26-8-7-13(22)9-19(26)27/h1-9,11-12H,10H2,(H,23,28)
InChIKeyLJLASYMLZKOQLW-UHFFFAOYSA-N
MW428.88 g/mol
LogP3.81
Rot. Bonds5

About 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 24760306) has the molecular formula C20H14ClFN4O2S and a molecular weight of 428.88 g/mol. Its IUPAC name is 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID24760306
Molecular FormulaC20H14ClFN4O2S
Molecular Weight428.88 g/mol
Exact Mass428.05
IUPAC Name5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(-n3ccc(F)cc3=O)cc2)cn1)c1ccc(Cl)s1
InChIInChI=1S/C20H14ClFN4O2S/c21-18-6-5-17(29-18)20(28)23-10-14-11-25(12-24-14)15-1-3-16(4-2-15)26-8-7-13(22)9-19(26)27/h1-9,11-12H,10H2,(H,23,28)
InChIKeyLJLASYMLZKOQLW-UHFFFAOYSA-N
XLogP3.81
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 24760306) is 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is O=C(NCc1cn(-c2ccc(-n3ccc(F)cc3=O)cc2)cn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is LJLASYMLZKOQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2S/c21-18-6-5-17(29-18)20(28)23-10-14-11-25(12-24-14)15-1-3-16(4-2-15)26-8-7-13(22)9-19(26)27/h1-9,11-12H,10H2,(H,23,28).
What are the key properties of 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24760306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).