propyl 4-(2-imidazol-1-ylethoxy)benzoate

C15H18N2O3 — CID 173412849

IUPACpropyl 4-(2-imidazol-1-ylethoxy)benzoate
SMILESCCCOC(=O)c1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C15H18N2O3/c1-2-10-20-15(18)13-3-5-14(6-4-13)19-11-9-17-8-7-16-12-17/h3-8,12H,2,9-11H2,1H3
InChIKeyDJPFQJAHGBZXKJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.53
Rot. Bonds7

About propyl 4-(2-imidazol-1-ylethoxy)benzoate

propyl 4-(2-imidazol-1-ylethoxy)benzoate (PubChem CID 173412849) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is propyl 4-(2-imidazol-1-ylethoxy)benzoate.

Molecular Properties

Compound Namepropyl 4-(2-imidazol-1-ylethoxy)benzoate
PubChem CID173412849
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namepropyl 4-(2-imidazol-1-ylethoxy)benzoate
SMILESCCCOC(=O)c1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C15H18N2O3/c1-2-10-20-15(18)13-3-5-14(6-4-13)19-11-9-17-8-7-16-12-17/h3-8,12H,2,9-11H2,1H3
InChIKeyDJPFQJAHGBZXKJ-UHFFFAOYSA-N
XLogP2.53
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 867238
propyl 4-butoxybenzoate
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CID 164877712
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
CID 18518429
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
CID 43471263
propyl 8-imidazol-1-yloctanoate
CID 54366798
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270
N'-hydroxy-4-(3-imidazol-1-ylpropoxy)benzenecarboximidamide
CID 109374420

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2-imidazol-1-ylethoxy)benzoate?
The IUPAC name of propyl 4-(2-imidazol-1-ylethoxy)benzoate (CID 173412849) is propyl 4-(2-imidazol-1-ylethoxy)benzoate.
What is the SMILES notation for propyl 4-(2-imidazol-1-ylethoxy)benzoate?
The canonical SMILES for propyl 4-(2-imidazol-1-ylethoxy)benzoate is CCCOC(=O)c1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of propyl 4-(2-imidazol-1-ylethoxy)benzoate?
The InChIKey is DJPFQJAHGBZXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-10-20-15(18)13-3-5-14(6-4-13)19-11-9-17-8-7-16-12-17/h3-8,12H,2,9-11H2,1H3.
What are the key properties of propyl 4-(2-imidazol-1-ylethoxy)benzoate?
propyl 4-(2-imidazol-1-ylethoxy)benzoate has a molecular weight of 274.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-imidazol-1-ylethoxy)benzoate is sourced from PubChem (CID 173412849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).