2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate

C25H24N2O3 — CID 71558574

IUPAC2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCCn3ccnc3-c3ccccc3)ccc2c1
InChIInChI=1S/C25H24N2O3/c1-18(20-8-9-22-17-23(29-2)11-10-21(22)16-20)25(28)30-15-14-27-13-12-26-24(27)19-6-4-3-5-7-19/h3-13,16-18H,14-15H2,1-2H3
InChIKeyYRGZXSOSGJZFAH-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.06
Rot. Bonds7

About 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate

2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 71558574) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID71558574
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCCn3ccnc3-c3ccccc3)ccc2c1
InChIInChI=1S/C25H24N2O3/c1-18(20-8-9-22-17-23(29-2)11-10-21(22)16-20)25(28)30-15-14-27-13-12-26-24(27)19-6-4-3-5-7-19/h3-13,16-18H,14-15H2,1-2H3
InChIKeyYRGZXSOSGJZFAH-UHFFFAOYSA-N
XLogP5.06
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate;hydrochloride
CID 71300842
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952574
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
CID 175762136
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylimidazol-1-yl)propan-1-one
CID 44594645
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 51351147
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate (CID 71558574) is 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)C(=O)OCCn3ccnc3-c3ccccc3)ccc2c1.
What is the InChIKey of 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is YRGZXSOSGJZFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18(20-8-9-22-17-23(29-2)11-10-21(22)16-20)25(28)30-15-14-27-13-12-26-24(27)19-6-4-3-5-7-19/h3-13,16-18H,14-15H2,1-2H3.
What are the key properties of 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 400.48 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 71558574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).