2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide

C14H24N4O — CID 114719612

IUPAC2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cncc1C1(C)CCNC1
InChIInChI=1S/C14H24N4O/c1-4-6-17-13(19)11(2)18-10-16-8-12(18)14(3)5-7-15-9-14/h8,10-11,15H,4-7,9H2,1-3H3,(H,17,19)
InChIKeyFBOMPYPDFQDGHP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds5

About 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide

2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide (PubChem CID 114719612) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide
PubChem CID114719612
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cncc1C1(C)CCNC1
InChIInChI=1S/C14H24N4O/c1-4-6-17-13(19)11(2)18-10-16-8-12(18)14(3)5-7-15-9-14/h8,10-11,15H,4-7,9H2,1-3H3,(H,17,19)
InChIKeyFBOMPYPDFQDGHP-UHFFFAOYSA-N
XLogP1.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide (CID 114719612) is 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1cncc1C1(C)CCNC1.
What is the InChIKey of 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide?
The InChIKey is FBOMPYPDFQDGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-6-17-13(19)11(2)18-10-16-8-12(18)14(3)5-7-15-9-14/h8,10-11,15H,4-7,9H2,1-3H3,(H,17,19).
What are the key properties of 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide?
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 114719612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).