1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea

C16H26N4O2 — CID 129006310

About 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea

1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea (PubChem CID 129006310) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
• PubChem CID: 129006310
• Molecular Formula: C16H26N4O2
• Molecular Weight: 306.41 g/mol
• Exact Mass: 306.21
• IUPAC Name: 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
• SMILES: CC(NC(=O)N(C)CC1CCc2nccn2C1)C1CCCO1
• InChI: InChI=1S/C16H26N4O2/c1-12(14-4-3-9-22-14)18-16(21)19(2)10-13-5-6-15-17-7-8-20(15)11-13/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,18,21)
• InChIKey: DVDBDBJEEALGCE-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.41
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea (CID 129006310) is 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea.

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

The canonical SMILES for 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea is CC(NC(=O)N(C)CC1CCc2nccn2C1)C1CCCO1.

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

The InChIKey is DVDBDBJEEALGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(14-4-3-9-22-14)18-16(21)19(2)10-13-5-6-15-17-7-8-20(15)11-13/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,18,21).

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

1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea has a molecular weight of 306.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea is sourced from PubChem (CID 129006310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).