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

C14H24N4O — CID 114721712

IUPAC2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cncc1C1(C)CCNC1
InChIInChI=1S/C14H24N4O/c1-10(2)17-13(19)11(3)18-9-16-7-12(18)14(4)5-6-15-8-14/h7,9-11,15H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyQBWQMVVWUPUYFP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds4

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

2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 114721712) 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-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID114721712
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1cncc1C1(C)CCNC1
InChIInChI=1S/C14H24N4O/c1-10(2)17-13(19)11(3)18-9-16-7-12(18)14(4)5-6-15-8-14/h7,9-11,15H,5-6,8H2,1-4H3,(H,17,19)
InChIKeyQBWQMVVWUPUYFP-UHFFFAOYSA-N
XLogP1.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-propan-2-ylpropanamide?
The IUPAC name of 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide (CID 114721712) is 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)n1cncc1C1(C)CCNC1.
What is the InChIKey of 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is QBWQMVVWUPUYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)17-13(19)11(3)18-9-16-7-12(18)14(4)5-6-15-8-14/h7,9-11,15H,5-6,8H2,1-4H3,(H,17,19).
What are the key properties of 2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide?
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.22, 4 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-propan-2-ylpropanamide is sourced from PubChem (CID 114721712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).