1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole

C14H19N3O — CID 104942506

IUPAC1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCc1ccc(C(C)n2cncc2[C@@H]2CCCN2)o1
InChIInChI=1S/C14H19N3O/c1-10-5-6-14(18-10)11(2)17-9-15-8-13(17)12-4-3-7-16-12/h5-6,8-9,11-12,16H,3-4,7H2,1-2H3/t11?,12-/m0/s1
InChIKeyCKLJMEKSSCKJFM-KIYNQFGBSA-N
MW245.33 g/mol
LogP2.82
Rot. Bonds3

About 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole

1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104942506) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104942506
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCc1ccc(C(C)n2cncc2[C@@H]2CCCN2)o1
InChIInChI=1S/C14H19N3O/c1-10-5-6-14(18-10)11(2)17-9-15-8-13(17)12-4-3-7-16-12/h5-6,8-9,11-12,16H,3-4,7H2,1-2H3/t11?,12-/m0/s1
InChIKeyCKLJMEKSSCKJFM-KIYNQFGBSA-N
XLogP2.82
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
CID 106390497
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114704559
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706687
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942681
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942505
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104942506) is 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole is Cc1ccc(C(C)n2cncc2[C@@H]2CCCN2)o1.
What is the InChIKey of 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is CKLJMEKSSCKJFM-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-5-6-14(18-10)11(2)17-9-15-8-13(17)12-4-3-7-16-12/h5-6,8-9,11-12,16H,3-4,7H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 245.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104942506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).