2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid

C19H24N2O4 — CID 155940361

IUPAC2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid
SMILESO=CO.c1cn(C2CCOC2)c(-c2ccc(OC3CCCC3)cc2)n1
InChIInChI=1S/C18H22N2O2.CH2O2/c1-2-4-16(3-1)22-17-7-5-14(6-8-17)18-19-10-11-20(18)15-9-12-21-13-15;2-1-3/h5-8,10-11,15-16H,1-4,9,12-13H2;1H,(H,2,3)
InChIKeyRIQNNDBFCSMAIW-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid

2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid (PubChem CID 155940361) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid.

Molecular Properties

Compound Name2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid
PubChem CID155940361
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid
SMILESO=CO.c1cn(C2CCOC2)c(-c2ccc(OC3CCCC3)cc2)n1
InChIInChI=1S/C18H22N2O2.CH2O2/c1-2-4-16(3-1)22-17-7-5-14(6-8-17)18-19-10-11-20(18)15-9-12-21-13-15;2-1-3/h5-8,10-11,15-16H,1-4,9,12-13H2;1H,(H,2,3)
InChIKeyRIQNNDBFCSMAIW-UHFFFAOYSA-N
XLogP3.53
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine
CID 154923864
formic acid;methyl 4-[1-(oxan-4-yl)imidazol-2-yl]benzoate
CID 154919892
N-tert-butyl-2-[4-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetamide
CID 154815947
formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
CID 163333896
4-[[(3S,4S)-4-[2-(4-cyclopentyloxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166618531
N-ethyl-N-[[2-methoxy-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]ethanamine;formic acid
CID 163335096
3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
CID 163333857
3-chloro-4-[1-(oxolan-3-yl)imidazol-2-yl]pyridine
CID 154819013
cis-(1S,3R)-3-[2-(4-butylphenyl)imidazol-1-yl]cyclohexan-1-ol;formic acid
CID 154919518
4-cyclopentyloxybenzaldehyde
CID 3152724
2-[2-methoxy-4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]-1-morpholin-4-ylethanone
CID 154823819
formic acid;4-[[(3S,4S)-4-[2-(4-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 171708775

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid?
The IUPAC name of 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid (CID 155940361) is 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid.
What is the SMILES notation for 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid?
The canonical SMILES for 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid is O=CO.c1cn(C2CCOC2)c(-c2ccc(OC3CCCC3)cc2)n1.
What is the InChIKey of 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid?
The InChIKey is RIQNNDBFCSMAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.CH2O2/c1-2-4-16(3-1)22-17-7-5-14(6-8-17)18-19-10-11-20(18)15-9-12-21-13-15;2-1-3/h5-8,10-11,15-16H,1-4,9,12-13H2;1H,(H,2,3).
What are the key properties of 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid?
2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid has a molecular weight of 344.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid is sourced from PubChem (CID 155940361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).