5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide

C21H19ClN4O3S — CID 152992366

IUPAC5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(Cl)s2)CN(c2ccc(-n3cccc(O)c3=O)cc2)C=N1
InChIInChI=1S/C21H19ClN4O3S/c1-21(11-23-19(28)17-8-9-18(22)30-17)12-25(13-24-21)14-4-6-15(7-5-14)26-10-2-3-16(27)20(26)29/h2-10,13,27H,11-12H2,1H3,(H,23,28)
InChIKeyUWNNSGOLEGQLJE-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.30
Rot. Bonds5

About 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 152992366) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID152992366
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC Name5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(Cl)s2)CN(c2ccc(-n3cccc(O)c3=O)cc2)C=N1
InChIInChI=1S/C21H19ClN4O3S/c1-21(11-23-19(28)17-8-9-18(22)30-17)12-25(13-24-21)14-4-6-15(7-5-14)26-10-2-3-16(27)20(26)29/h2-10,13,27H,11-12H2,1H3,(H,23,28)
InChIKeyUWNNSGOLEGQLJE-UHFFFAOYSA-N
XLogP3.30
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide (CID 152992366) is 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide is CC1(CNC(=O)c2ccc(Cl)s2)CN(c2ccc(-n3cccc(O)c3=O)cc2)C=N1.
What is the InChIKey of 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is UWNNSGOLEGQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-21(11-23-19(28)17-8-9-18(22)30-17)12-25(13-24-21)14-4-6-15(7-5-14)26-10-2-3-16(27)20(26)29/h2-10,13,27H,11-12H2,1H3,(H,23,28).
What are the key properties of 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 442.93 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-(3-hydroxy-2-oxo-1-pyridinyl)phenyl]-5-methyl-4H-imidazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 152992366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).