1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole

C16H21N3O — CID 114702887

IUPAC1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
SMILESCOc1ccc(CCn2cncc2C2CCCN2)cc1
InChIInChI=1S/C16H21N3O/c1-20-14-6-4-13(5-7-14)8-10-19-12-17-11-16(19)15-3-2-9-18-15/h4-7,11-12,15,18H,2-3,8-10H2,1H3
InChIKeyXNQFVIHKDWBTKU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole

1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole (PubChem CID 114702887) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
PubChem CID114702887
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
SMILESCOc1ccc(CCn2cncc2C2CCCN2)cc1
InChIInChI=1S/C16H21N3O/c1-20-14-6-4-13(5-7-14)8-10-19-12-17-11-16(19)15-3-2-9-18-15/h4-7,11-12,15,18H,2-3,8-10H2,1H3
InChIKeyXNQFVIHKDWBTKU-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
CID 114716493
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485
1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114706692
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole (CID 114702887) is 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole is COc1ccc(CCn2cncc2C2CCCN2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole?
The InChIKey is XNQFVIHKDWBTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-6-4-13(5-7-14)8-10-19-12-17-11-16(19)15-3-2-9-18-15/h4-7,11-12,15,18H,2-3,8-10H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole?
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole has a molecular weight of 271.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114702887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).