5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide

C23H22N4OS — CID 69361682

About 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide

5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide (PubChem CID 69361682) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide
• PubChem CID: 69361682
• Molecular Formula: C23H22N4OS
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.15
• IUPAC Name: 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide
• SMILES: Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(C(N)=O)s3)c2)n1
• InChI: InChI=1S/C23H22N4OS/c1-13(2)23-26-20(21(27-23)17-9-4-6-14(3)25-17)16-8-5-7-15(12-16)18-10-11-19(29-18)22(24)28/h4-13H,1-3H3,(H2,24,28)(H,26,27)
• InChIKey: IUJCQXALTOGYKL-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 84.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide?

The IUPAC name of 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide (CID 69361682) is 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide is Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc(C(N)=O)s3)c2)n1.

What is the InChIKey of 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide?

The InChIKey is IUJCQXALTOGYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-13(2)23-26-20(21(27-23)17-9-4-6-14(3)25-17)16-8-5-7-15(12-16)18-10-11-19(29-18)22(24)28/h4-13H,1-3H3,(H2,24,28)(H,26,27).

What are the key properties of 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide?

5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 69361682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).