1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole

C15H19N3 — CID 114716968

IUPAC1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
SMILESc1ccc(CCn2cncc2C2CCNC2)cc1
InChIInChI=1S/C15H19N3/c1-2-4-13(5-3-1)7-9-18-12-17-11-15(18)14-6-8-16-10-14/h1-5,11-12,14,16H,6-10H2
InChIKeyQWQRNYGVDIMKCD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole

1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114716968) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114716968
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
SMILESc1ccc(CCn2cncc2C2CCNC2)cc1
InChIInChI=1S/C15H19N3/c1-2-4-13(5-3-1)7-9-18-12-17-11-15(18)14-6-8-16-10-14/h1-5,11-12,14,16H,6-10H2
InChIKeyQWQRNYGVDIMKCD-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704865
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724
4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole (CID 114716968) is 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole is c1ccc(CCn2cncc2C2CCNC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is QWQRNYGVDIMKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-4-13(5-3-1)7-9-18-12-17-11-15(18)14-6-8-16-10-14/h1-5,11-12,14,16H,6-10H2.
What are the key properties of 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole?
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 241.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).