1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

C24H24N8O — CID 167912745

About 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea

1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (PubChem CID 167912745) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
• PubChem CID: 167912745
• Molecular Formula: C24H24N8O
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.21
• IUPAC Name: 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
• SMILES: Cc1cccn2cc(-c3cccc(NC(=O)NC(c4nccn4C)c4nccn4C)c3)nc12
• InChI: InChI=1S/C24H24N8O/c1-16-6-5-11-32-15-19(28-21(16)32)17-7-4-8-18(14-17)27-24(33)29-20(22-25-9-12-30(22)2)23-26-10-13-31(23)3/h4-15,20H,1-3H3,(H2,27,29,33)
• InChIKey: DSGPOSAJNYCTPF-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 94.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?

The IUPAC name of 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea (CID 167912745) is 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea.

What is the SMILES notation for 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?

The canonical SMILES for 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is Cc1cccn2cc(-c3cccc(NC(=O)NC(c4nccn4C)c4nccn4C)c3)nc12.

What is the InChIKey of 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?

The InChIKey is DSGPOSAJNYCTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-16-6-5-11-32-15-19(28-21(16)32)17-7-4-8-18(14-17)27-24(33)29-20(22-25-9-12-30(22)2)23-26-10-13-31(23)3/h4-15,20H,1-3H3,(H2,27,29,33).

What are the key properties of 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea?

1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea has a molecular weight of 440.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[bis(1-methylimidazol-2-yl)methyl]-3-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea is sourced from PubChem (CID 167912745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).