3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide

C15H26N4O — CID 110203826

IUPAC3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1cnc(C2CCN(C(=O)NC(C)C)C2)n1C(C)C
InChIInChI=1S/C15H26N4O/c1-10(2)17-15(20)18-7-6-13(9-18)14-16-8-12(5)19(14)11(3)4/h8,10-11,13H,6-7,9H2,1-5H3,(H,17,20)
InChIKeyXYPXIOJFPNUAKJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.68
Rot. Bonds3

About 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide

3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 110203826) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID110203826
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1cnc(C2CCN(C(=O)NC(C)C)C2)n1C(C)C
InChIInChI=1S/C15H26N4O/c1-10(2)17-15(20)18-7-6-13(9-18)14-16-8-12(5)19(14)11(3)4/h8,10-11,13H,6-7,9H2,1-5H3,(H,17,20)
InChIKeyXYPXIOJFPNUAKJ-UHFFFAOYSA-N
XLogP2.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 110203826) is 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide is Cc1cnc(C2CCN(C(=O)NC(C)C)C2)n1C(C)C.
What is the InChIKey of 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is XYPXIOJFPNUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)17-15(20)18-7-6-13(9-18)14-16-8-12(5)19(14)11(3)4/h8,10-11,13H,6-7,9H2,1-5H3,(H,17,20).
What are the key properties of 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide?
3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-propan-2-ylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110203826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).