ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate

C17H22N2O3 — CID 23053722

IUPACethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate
SMILESCCCCC(c1cnc[nH]1)c1cccc(C(=O)OCC)c1O
InChIInChI=1S/C17H22N2O3/c1-3-5-7-12(15-10-18-11-19-15)13-8-6-9-14(16(13)20)17(21)22-4-2/h6,8-12,20H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyBWJCZENUOVCWIJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.61
Rot. Bonds7

About ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate

ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate (PubChem CID 23053722) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate
PubChem CID23053722
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate
SMILESCCCCC(c1cnc[nH]1)c1cccc(C(=O)OCC)c1O
InChIInChI=1S/C17H22N2O3/c1-3-5-7-12(15-10-18-11-19-15)13-8-6-9-14(16(13)20)17(21)22-4-2/h6,8-12,20H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyBWJCZENUOVCWIJ-UHFFFAOYSA-N
XLogP3.61
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate
CID 122358525
ethyl 3-ethyl-2-hydroxybenzoate
CID 101432634
ethyl 4-(difluoromethyl)-2-hydroxy-3-methylbenzoate
CID 118496136
2-ethylhexyl 2,3-dihydroxybenzoate
CID 175413950
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540
ethyl 3-amino-2-(hexan-2-ylamino)benzoate
CID 112578770
3-[[3-[3-[[2-hydroxy-3-(methoxycarbamoyl)phenyl]-(1H-imidazol-5-yl)methyl]-2-methylphenyl]-2-methylphenyl]-(1H-imidazol-5-yl)methyl]benzoic acid
CID 176560019
ethyl 3-(aminomethyl)-2-hydroxybenzoate
CID 117275304
3-(1H-imidazol-5-yl)nonyl carbamate
CID 57230034
acetic acid;diethyl benzene-1,2-dicarboxylate;tetradecanoic acid
CID 70257959
2-(1-ethoxy-1-oxoheptan-3-yl)benzoic acid
CID 154081112
ethyl 2-(hexan-2-ylamino)benzoate
CID 43774647

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate?
The IUPAC name of ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate (CID 23053722) is ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate.
What is the SMILES notation for ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate?
The canonical SMILES for ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate is CCCCC(c1cnc[nH]1)c1cccc(C(=O)OCC)c1O.
What is the InChIKey of ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate?
The InChIKey is BWJCZENUOVCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-5-7-12(15-10-18-11-19-15)13-8-6-9-14(16(13)20)17(21)22-4-2/h6,8-12,20H,3-5,7H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate?
ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate has a molecular weight of 302.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-[1-(1H-imidazol-5-yl)pentyl]benzoate is sourced from PubChem (CID 23053722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).