1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole

C14H23N3 — CID 114722180

IUPAC1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCCC1(n2cncc2C2(C)CCNC2)CCC1
InChIInChI=1S/C14H23N3/c1-3-14(5-4-6-14)17-11-16-9-12(17)13(2)7-8-15-10-13/h9,11,15H,3-8,10H2,1-2H3
InChIKeyHDRPTVWVKZPTGZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.42
Rot. Bonds3

About 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole

1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole (PubChem CID 114722180) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole
PubChem CID114722180
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole
SMILESCCC1(n2cncc2C2(C)CCNC2)CCC1
InChIInChI=1S/C14H23N3/c1-3-14(5-4-6-14)17-11-16-9-12(17)13(2)7-8-15-10-13/h9,11,15H,3-8,10H2,1-2H3
InChIKeyHDRPTVWVKZPTGZ-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The IUPAC name of 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole (CID 114722180) is 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole is CCC1(n2cncc2C2(C)CCNC2)CCC1.
What is the InChIKey of 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
The InChIKey is HDRPTVWVKZPTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-14(5-4-6-14)17-11-16-9-12(17)13(2)7-8-15-10-13/h9,11,15H,3-8,10H2,1-2H3.
What are the key properties of 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole?
1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole has a molecular weight of 233.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 114722180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).