5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole

C15H15N3O — CID 58294140

IUPAC5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
SMILESc1ccc(-c2cnc[nH]2)c(OCCn2cccc2)c1
InChIInChI=1S/C15H15N3O/c1-2-6-15(13(5-1)14-11-16-12-17-14)19-10-9-18-7-3-4-8-18/h1-8,11-12H,9-10H2,(H,16,17)
InChIKeyLWTSUKLRIXSHNX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.96
Rot. Bonds5

About 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole

5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole (PubChem CID 58294140) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
PubChem CID58294140
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
SMILESc1ccc(-c2cnc[nH]2)c(OCCn2cccc2)c1
InChIInChI=1S/C15H15N3O/c1-2-6-15(13(5-1)14-11-16-12-17-14)19-10-9-18-7-3-4-8-18/h1-8,11-12H,9-10H2,(H,16,17)
InChIKeyLWTSUKLRIXSHNX-UHFFFAOYSA-N
XLogP2.96
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole
CID 67222760
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
CID 143884976
5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
CID 147036147
4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
CID 70925852
5-[2-[2-(4-thiophen-3-ylphenyl)ethoxy]phenyl]-1H-imidazole
CID 52933449
S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
CID 143884941
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one
CID 70926091
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole?
The IUPAC name of 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole (CID 58294140) is 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole is c1ccc(-c2cnc[nH]2)c(OCCn2cccc2)c1.
What is the InChIKey of 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole?
The InChIKey is LWTSUKLRIXSHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-6-15(13(5-1)14-11-16-12-17-14)19-10-9-18-7-3-4-8-18/h1-8,11-12H,9-10H2,(H,16,17).
What are the key properties of 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole?
5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole has a molecular weight of 253.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 58294140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).