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

C15H26N4O — CID 110203820

IUPAC3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCCn1c(C)cnc1C1CCN(C(=O)NC(C)C)C1
InChIInChI=1S/C15H26N4O/c1-5-7-19-12(4)9-16-14(19)13-6-8-18(10-13)15(20)17-11(2)3/h9,11,13H,5-8,10H2,1-4H3,(H,17,20)
InChIKeyPVPAQJKYAHHNEI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.51
Rot. Bonds4

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

3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 110203820) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID110203820
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCCn1c(C)cnc1C1CCN(C(=O)NC(C)C)C1
InChIInChI=1S/C15H26N4O/c1-5-7-19-12(4)9-16-14(19)13-6-8-18(10-13)15(20)17-11(2)3/h9,11,13H,5-8,10H2,1-4H3,(H,17,20)
InChIKeyPVPAQJKYAHHNEI-UHFFFAOYSA-N
XLogP2.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.51
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-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 110203820) is 3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide is CCCn1c(C)cnc1C1CCN(C(=O)NC(C)C)C1.
What is the InChIKey of 3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is PVPAQJKYAHHNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-7-19-12(4)9-16-14(19)13-6-8-18(10-13)15(20)17-11(2)3/h9,11,13H,5-8,10H2,1-4H3,(H,17,20).
What are the key properties of 3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide?
3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-propylimidazol-2-yl)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110203820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).