5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole

C15H19N3O — CID 43650691

IUPAC5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
SMILESCCOc1ccc(-c2cnc(C3CCCN3)[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-2-19-12-7-5-11(6-8-12)14-10-17-15(18-14)13-4-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18)
InChIKeyCBHITEKAHZBSPD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.90
Rot. Bonds4

About 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole

5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 43650691) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID43650691
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
SMILESCCOc1ccc(-c2cnc(C3CCCN3)[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-2-19-12-7-5-11(6-8-12)14-10-17-15(18-14)13-4-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18)
InChIKeyCBHITEKAHZBSPD-UHFFFAOYSA-N
XLogP2.90
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080
2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 58209611
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
4-ethoxy-6-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinazoline;hydrochloride
CID 57462081
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
5-[4-[2-[4-(4-ethyl-5-pyrrolidin-2-yl-1H-pyrrol-2-yl)phenyl]ethynyl]phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 123810877
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
CID 144634079
CID 144634079

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole (CID 43650691) is 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole is CCOc1ccc(-c2cnc(C3CCCN3)[nH]2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is CBHITEKAHZBSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-12-7-5-11(6-8-12)14-10-17-15(18-14)13-4-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18).
What are the key properties of 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole?
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 257.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 43650691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).