5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C20H19ClN4O3S — CID 25099710

About 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 25099710) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 25099710
• Molecular Formula: C20H19ClN4O3S
• Molecular Weight: 430.92 g/mol
• Exact Mass: 430.09
• IUPAC Name: 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
• SMILES: Cn1cc(CNC(=O)c2ccc(Cl)s2)nc1-c1ccc(N2CCOCC2=O)cc1
• InChI: InChI=1S/C20H19ClN4O3S/c1-24-11-14(10-22-20(27)16-6-7-17(21)29-16)23-19(24)13-2-4-15(5-3-13)25-8-9-28-12-18(25)26/h2-7,11H,8-10,12H2,1H3,(H,22,27)
• InChIKey: ZNXRLHZBZSDAJY-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.92
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 25099710) is 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is Cn1cc(CNC(=O)c2ccc(Cl)s2)nc1-c1ccc(N2CCOCC2=O)cc1.

What is the InChIKey of 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?

The InChIKey is ZNXRLHZBZSDAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-24-11-14(10-22-20(27)16-6-7-17(21)29-16)23-19(24)13-2-4-15(5-3-13)25-8-9-28-12-18(25)26/h2-7,11H,8-10,12H2,1H3,(H,22,27).

What are the key properties of 5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 430.92 g/mol, XLogP of 3.10, 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-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25099710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).