2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate

C20H20N2O2 — CID 23368297

IUPAC2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C20H20N2O2/c23-20(13-17-4-2-1-3-5-17)24-11-10-16-6-8-18(9-7-16)12-19-14-21-15-22-19/h1-9,14-15H,10-13H2,(H,21,22)
InChIKeyDLUJNMDDDUBWRI-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.33
Rot. Bonds7

About 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate

2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate (PubChem CID 23368297) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate
PubChem CID23368297
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCCc1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/C20H20N2O2/c23-20(13-17-4-2-1-3-5-17)24-11-10-16-6-8-18(9-7-16)12-19-14-21-15-22-19/h1-9,14-15H,10-13H2,(H,21,22)
InChIKeyDLUJNMDDDUBWRI-UHFFFAOYSA-N
XLogP3.33
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Iodo-phenyl)-acetic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10809147
UR-PG153
CID 25150700
3-(4-Iodo-phenyl)-propionic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10620015
4-(4-Iodo-phenyl)-butyric acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10715857
Phenyl-carbamic acid 4-(1H-imidazol-4-ylmethyl)-benzyl ester
CID 23368213
(S)-3-amino-1-(biphenyl-4-yl)-4-(1H-imidazol-4-yl)butan-2-one dihydrochloride
CID 44307625
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-[2-(4-pentylphenyl)ethynyl]phenyl]butan-2-one
CID 46207081
2-Benzyl-4-(1H-imidazol-4-yl)-butyric acid
CID 10014713
2-(1H-Imidazol-4-yl)-3-phenyl-propionic acid
CID 10465893
N-[2-(1H-imidazol-5-yl)ethyl]-4,4-diphenylbutanamide
CID 10472023
5-[3-[3-(4-phenylphenyl)propoxy]propyl]-1H-imidazole
CID 10591811
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-phenylacetamide
CID 25149425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate?
The IUPAC name of 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate (CID 23368297) is 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate.
What is the SMILES notation for 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate?
The canonical SMILES for 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate is O=C(Cc1ccccc1)OCCc1ccc(Cc2cnc[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate?
The InChIKey is DLUJNMDDDUBWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(13-17-4-2-1-3-5-17)24-11-10-16-6-8-18(9-7-16)12-19-14-21-15-22-19/h1-9,14-15H,10-13H2,(H,21,22).
What are the key properties of 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate?
2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate has a molecular weight of 320.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-5-ylmethyl)phenyl]ethyl 2-phenylacetate is sourced from PubChem (CID 23368297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).