1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole

C15H21N3O — CID 104942681

IUPAC1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(CCc1ccco1)n1cncc1[C@@H]1CCCN1
InChIInChI=1S/C15H21N3O/c1-12(6-7-13-4-3-9-19-13)18-11-16-10-15(18)14-5-2-8-17-14/h3-4,9-12,14,17H,2,5-8H2,1H3/t12?,14-/m0/s1
InChIKeyOBLTUTCZYYSZKC-PYMCNQPYSA-N
MW259.35 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole

1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104942681) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104942681
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCC(CCc1ccco1)n1cncc1[C@@H]1CCCN1
InChIInChI=1S/C15H21N3O/c1-12(6-7-13-4-3-9-19-13)18-11-16-10-15(18)14-5-2-8-17-14/h3-4,9-12,14,17H,2,5-8H2,1H3/t12?,14-/m0/s1
InChIKeyOBLTUTCZYYSZKC-PYMCNQPYSA-N
XLogP3.09
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705914
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
CID 114706396
3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
CID 64953713
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104942681) is 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole is CC(CCc1ccco1)n1cncc1[C@@H]1CCCN1.
What is the InChIKey of 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is OBLTUTCZYYSZKC-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(6-7-13-4-3-9-19-13)18-11-16-10-15(18)14-5-2-8-17-14/h3-4,9-12,14,17H,2,5-8H2,1H3/t12?,14-/m0/s1.
What are the key properties of 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 259.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104942681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).