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

C17H23N3O — CID 114705473

IUPAC1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCCC(C)Oc1cccc(-n2cncc2C2CCCN2)c1
InChIInChI=1S/C17H23N3O/c1-3-13(2)21-15-7-4-6-14(10-15)20-12-18-11-17(20)16-8-5-9-19-16/h4,6-7,10-13,16,19H,3,5,8-9H2,1-2H3
InChIKeyVOGXPOSEWYQAFM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds5

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

1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114705473) 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-2-ylimidazole.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114705473
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
SMILESCCC(C)Oc1cccc(-n2cncc2C2CCCN2)c1
InChIInChI=1S/C17H23N3O/c1-3-13(2)21-15-7-4-6-14(10-15)20-12-18-11-17(20)16-8-5-9-19-16/h4,6-7,10-13,16,19H,3,5,8-9H2,1-2H3
InChIKeyVOGXPOSEWYQAFM-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719747
1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704020
1-(3-methylsulfanylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702733
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494
1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
CID 114703835
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708232
1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943687
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
CID 114719746
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole (CID 114705473) is 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole is CCC(C)Oc1cccc(-n2cncc2C2CCCN2)c1.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is VOGXPOSEWYQAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-13(2)21-15-7-4-6-14(10-15)20-12-18-11-17(20)16-8-5-9-19-16/h4,6-7,10-13,16,19H,3,5,8-9H2,1-2H3.
What are the key properties of 1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole?
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 285.39 g/mol, XLogP of 3.47, 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-2-ylimidazole is sourced from PubChem (CID 114705473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).