1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole

C17H23N3O — CID 114719747

IUPAC1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCCC(C)Oc1cccc(-n2cncc2C2CCNC2)c1
InChIInChI=1S/C17H23N3O/c1-3-13(2)21-16-6-4-5-15(9-16)20-12-19-11-17(20)14-7-8-18-10-14/h4-6,9,11-14,18H,3,7-8,10H2,1-2H3
InChIKeyYGVJOIVBKXHXTA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds5

About 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole

1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114719747) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114719747
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCCC(C)Oc1cccc(-n2cncc2C2CCNC2)c1
InChIInChI=1S/C17H23N3O/c1-3-13(2)21-16-6-4-5-15(9-16)20-12-19-11-17(20)14-7-8-18-10-14/h4-6,9,11-14,18H,3,7-8,10H2,1-2H3
InChIKeyYGVJOIVBKXHXTA-UHFFFAOYSA-N
XLogP3.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114705473
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
CID 114719746
1-(3-butan-2-yloxyphenyl)-2-methylpiperazine
CID 64930917
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708232
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole (CID 114719747) is 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole is CCC(C)Oc1cccc(-n2cncc2C2CCNC2)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is YGVJOIVBKXHXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-13(2)21-16-6-4-5-15(9-16)20-12-19-11-17(20)14-7-8-18-10-14/h4-6,9,11-14,18H,3,7-8,10H2,1-2H3.
What are the key properties of 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole?
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 285.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114719747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).