1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole

C13H23N3 — CID 114716083

IUPAC1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC(C)C(C)n1cncc1C1(C)CCNC1
InChIInChI=1S/C13H23N3/c1-10(2)11(3)16-9-15-7-12(16)13(4)5-6-14-8-13/h7,9-11,14H,5-6,8H2,1-4H3
InChIKeyBCKQOCAIYQZYMD-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.35
Rot. Bonds3

About 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114716083) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114716083
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCC(C)C(C)n1cncc1C1(C)CCNC1
InChIInChI=1S/C13H23N3/c1-10(2)11(3)16-9-15-7-12(16)13(4)5-6-14-8-13/h7,9-11,14H,5-6,8H2,1-4H3
InChIKeyBCKQOCAIYQZYMD-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114716083) is 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole is CC(C)C(C)n1cncc1C1(C)CCNC1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is BCKQOCAIYQZYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)11(3)16-9-15-7-12(16)13(4)5-6-14-8-13/h7,9-11,14H,5-6,8H2,1-4H3.
What are the key properties of 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 221.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114716083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).