methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate

C18H24N4O3S — CID 76533214

About methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate

methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 76533214) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate
• PubChem CID: 76533214
• Molecular Formula: C18H24N4O3S
• Molecular Weight: 376.48 g/mol
• Exact Mass: 376.16
• IUPAC Name: methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2cccs2)[nH]1)C(C)C
• InChI: InChI=1S/C18H24N4O3S/c1-11(2)15(21-18(24)25-3)17(23)22-8-4-6-13(22)16-19-10-12(20-16)14-7-5-9-26-14/h5,7,9-11,13,15H,4,6,8H2,1-3H3,(H,19,20)(H,21,24)
• InChIKey: ILDBUEFBKWGSPJ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.48
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?

The IUPAC name of methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate (CID 76533214) is methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate.

What is the SMILES notation for methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?

The canonical SMILES for methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2cccs2)[nH]1)C(C)C.

What is the InChIKey of methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?

The InChIKey is ILDBUEFBKWGSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-11(2)15(21-18(24)25-3)17(23)22-8-4-6-13(22)16-19-10-12(20-16)14-7-5-9-26-14/h5,7,9-11,13,15H,4,6,8H2,1-3H3,(H,19,20)(H,21,24).

What are the key properties of methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?

methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 376.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-methyl-1-oxo-1-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 76533214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).