1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea

C14H21N5O — CID 128994207

About 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea

1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea (PubChem CID 128994207) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
• PubChem CID: 128994207
• Molecular Formula: C14H21N5O
• Molecular Weight: 275.36 g/mol
• Exact Mass: 275.17
• IUPAC Name: 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
• SMILES: CC(C)(C#N)CNC(=O)NCC1CCc2nccn2C1
• InChI: InChI=1S/C14H21N5O/c1-14(2,9-15)10-18-13(20)17-7-11-3-4-12-16-5-6-19(12)8-11/h5-6,11H,3-4,7-8,10H2,1-2H3,(H2,17,18,20)
• InChIKey: OREUPOSSFYLVKK-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 82.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.36
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?

The IUPAC name of 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea (CID 128994207) is 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea.

What is the SMILES notation for 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?

The canonical SMILES for 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea is CC(C)(C#N)CNC(=O)NCC1CCc2nccn2C1.

What is the InChIKey of 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?

The InChIKey is OREUPOSSFYLVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,9-15)10-18-13(20)17-7-11-3-4-12-16-5-6-19(12)8-11/h5-6,11H,3-4,7-8,10H2,1-2H3,(H2,17,18,20).

What are the key properties of 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea?

1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea has a molecular weight of 275.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea is sourced from PubChem (CID 128994207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).