1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole

C15H17Cl2N3 — CID 114717627

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
SMILESCC(c1ccc(Cl)cc1Cl)n1cncc1C1CCNC1
InChIInChI=1S/C15H17Cl2N3/c1-10(13-3-2-12(16)6-14(13)17)20-9-19-8-15(20)11-4-5-18-7-11/h2-3,6,8-11,18H,4-5,7H2,1H3
InChIKeyZZEKGEWDHWJYGQ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.88
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole

1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole (PubChem CID 114717627) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
PubChem CID114717627
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
SMILESCC(c1ccc(Cl)cc1Cl)n1cncc1C1CCNC1
InChIInChI=1S/C15H17Cl2N3/c1-10(13-3-2-12(16)6-14(13)17)20-9-19-8-15(20)11-4-5-18-7-11/h2-3,6,8-11,18H,4-5,7H2,1H3
InChIKeyZZEKGEWDHWJYGQ-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine
CID 114705230
3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
CID 114721129
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969505
2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110
N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147536
1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole
CID 134490854
4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
CID 106212006
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole (CID 114717627) is 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole is CC(c1ccc(Cl)cc1Cl)n1cncc1C1CCNC1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole?
The InChIKey is ZZEKGEWDHWJYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-10(13-3-2-12(16)6-14(13)17)20-9-19-8-15(20)11-4-5-18-7-11/h2-3,6,8-11,18H,4-5,7H2,1H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole?
1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole has a molecular weight of 310.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114717627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).