2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole

C24H24N4O — CID 163502595

About 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole

2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole (PubChem CID 163502595) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole
• PubChem CID: 163502595
• Molecular Formula: C24H24N4O
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.20
• IUPAC Name: 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole
• SMILES: C=C(C)/C(=C(/C)OC)c1cc(-c2cnc3ccccn23)c2nc(C3CC3)[nH]c2c1
• InChI: InChI=1S/C24H24N4O/c1-14(2)22(15(3)29-4)17-11-18(20-13-25-21-7-5-6-10-28(20)21)23-19(12-17)26-24(27-23)16-8-9-16/h5-7,10-13,16H,1,8-9H2,2-4H3,(H,26,27)/b22-15+
• InChIKey: CWAFDVXWEUJPEF-PXLXIMEGSA-N
• XLogP: 5.71
• TPSA: 55.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole?

The IUPAC name of 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole (CID 163502595) is 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole.

What is the SMILES notation for 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole?

The canonical SMILES for 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole is C=C(C)/C(=C(/C)OC)c1cc(-c2cnc3ccccn23)c2nc(C3CC3)[nH]c2c1.

What is the InChIKey of 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole?

The InChIKey is CWAFDVXWEUJPEF-PXLXIMEGSA-N. The full InChI is InChI=1S/C24H24N4O/c1-14(2)22(15(3)29-4)17-11-18(20-13-25-21-7-5-6-10-28(20)21)23-19(12-17)26-24(27-23)16-8-9-16/h5-7,10-13,16H,1,8-9H2,2-4H3,(H,26,27)/b22-15+.

What are the key properties of 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole?

2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole has a molecular weight of 384.48 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-4-imidazo[1,2-a]pyridin-3-yl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-1H-benzimidazole is sourced from PubChem (CID 163502595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).