1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

C19H22BrN5O — CID 86960090

About 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (PubChem CID 86960090) has the molecular formula C19H22BrN5O and a molecular weight of 416.32 g/mol. Its IUPAC name is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.

Molecular Properties

• Compound Name: 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
• PubChem CID: 86960090
• Molecular Formula: C19H22BrN5O
• Molecular Weight: 416.32 g/mol
• Exact Mass: 415.10
• IUPAC Name: 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
• SMILES: Cc1cccnc1C(NC(=O)NCc1cn2cc(Br)ccc2n1)C(C)C
• InChI: InChI=1S/C19H22BrN5O/c1-12(2)17(18-13(3)5-4-8-21-18)24-19(26)22-9-15-11-25-10-14(20)6-7-16(25)23-15/h4-8,10-12,17H,9H2,1-3H3,(H2,22,24,26)
• InChIKey: JSNPEVRPRIBDAO-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.32
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The IUPAC name of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea (CID 86960090) is 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea.

What is the SMILES notation for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The canonical SMILES for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is Cc1cccnc1C(NC(=O)NCc1cn2cc(Br)ccc2n1)C(C)C.

What is the InChIKey of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

The InChIKey is JSNPEVRPRIBDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O/c1-12(2)17(18-13(3)5-4-8-21-18)24-19(26)22-9-15-11-25-10-14(20)6-7-16(25)23-15/h4-8,10-12,17H,9H2,1-3H3,(H2,22,24,26).

What are the key properties of 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea?

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea has a molecular weight of 416.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea is sourced from PubChem (CID 86960090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).