1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

C17H26N4O2 — CID 95934509

About 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 95934509) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
• PubChem CID: 95934509
• Molecular Formula: C17H26N4O2
• Molecular Weight: 318.42 g/mol
• Exact Mass: 318.21
• IUPAC Name: 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
• SMILES: CO[C@H](CNC(=O)NCc1cn2c(C)cccc2n1)C(C)(C)C
• InChI: InChI=1S/C17H26N4O2/c1-12-7-6-8-15-20-13(11-21(12)15)9-18-16(22)19-10-14(23-5)17(2,3)4/h6-8,11,14H,9-10H2,1-5H3,(H2,18,19,22)/t14-/m1/s1
• InChIKey: GAGOJLMSOJOPJX-CQSZACIVSA-N
• XLogP: 2.50
• TPSA: 67.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.42
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The IUPAC name of 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 95934509) is 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

What is the SMILES notation for 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The canonical SMILES for 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is CO[C@H](CNC(=O)NCc1cn2c(C)cccc2n1)C(C)(C)C.

What is the InChIKey of 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

The InChIKey is GAGOJLMSOJOPJX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-7-6-8-15-20-13(11-21(12)15)9-18-16(22)19-10-14(23-5)17(2,3)4/h6-8,11,14H,9-10H2,1-5H3,(H2,18,19,22)/t14-/m1/s1.

What are the key properties of 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?

1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 318.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 95934509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).