N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide

C22H18N4O3S — CID 10158985

About N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide

N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 10158985) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 10158985
• Molecular Formula: C22H18N4O3S
• Molecular Weight: 418.48 g/mol
• Exact Mass: 418.11
• IUPAC Name: N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide
• SMILES: Cc1cccc(-c2[nH]c(CNC(=O)c3cccs3)nc2-c2ccc3c(c2)OCO3)n1
• InChI: InChI=1S/C22H18N4O3S/c1-13-4-2-5-15(24-13)21-20(14-7-8-16-17(10-14)29-12-28-16)25-19(26-21)11-23-22(27)18-6-3-9-30-18/h2-10H,11-12H2,1H3,(H,23,27)(H,25,26)
• InChIKey: VGMMCPXTXQLLCB-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 89.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.48
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide (CID 10158985) is N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide is Cc1cccc(-c2[nH]c(CNC(=O)c3cccs3)nc2-c2ccc3c(c2)OCO3)n1.

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

The InChIKey is VGMMCPXTXQLLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-13-4-2-5-15(24-13)21-20(14-7-8-16-17(10-14)29-12-28-16)25-19(26-21)11-23-22(27)18-6-3-9-30-18/h2-10H,11-12H2,1H3,(H,23,27)(H,25,26).

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

N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 10158985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).