benzhydryl 2-imidazol-1-ylacetate

C18H16N2O2 — CID 3678349

IUPACbenzhydryl 2-imidazol-1-ylacetate
SMILESO=C(Cn1ccnc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-17(13-20-12-11-19-14-20)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18H,13H2
InChIKeyGKPDOTOQYSCFOP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.22
Rot. Bonds5

About benzhydryl 2-imidazol-1-ylacetate

benzhydryl 2-imidazol-1-ylacetate (PubChem CID 3678349) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is benzhydryl 2-imidazol-1-ylacetate.

Molecular Properties

Compound Namebenzhydryl 2-imidazol-1-ylacetate
PubChem CID3678349
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namebenzhydryl 2-imidazol-1-ylacetate
SMILESO=C(Cn1ccnc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2O2/c21-17(13-20-12-11-19-14-20)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18H,13H2
InChIKeyGKPDOTOQYSCFOP-UHFFFAOYSA-N
XLogP3.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 101006718
benzhydryl 2-[(2-benzhydryloxy-2-oxoethyl)disulfanyl]acetate
CID 18965030
1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
(2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate
CID 164618765
1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466
1-imidazol-1-yl-4-phenylbut-3-en-2-one
CID 54468308
(3-imidazol-1-yl-1-phenylpropyl) 4-aminobenzoate
CID 56837881
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
(3-bromophenyl) 2-imidazol-1-ylacetate
CID 15284876
1-(2-phenyl-2-sulfonylethyl)imidazole
CID 21402211
N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide
CID 166627921

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2-imidazol-1-ylacetate?
The IUPAC name of benzhydryl 2-imidazol-1-ylacetate (CID 3678349) is benzhydryl 2-imidazol-1-ylacetate.
What is the SMILES notation for benzhydryl 2-imidazol-1-ylacetate?
The canonical SMILES for benzhydryl 2-imidazol-1-ylacetate is O=C(Cn1ccnc1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2-imidazol-1-ylacetate?
The InChIKey is GKPDOTOQYSCFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17(13-20-12-11-19-14-20)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,18H,13H2.
What are the key properties of benzhydryl 2-imidazol-1-ylacetate?
benzhydryl 2-imidazol-1-ylacetate has a molecular weight of 292.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2-imidazol-1-ylacetate is sourced from PubChem (CID 3678349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).