(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone

C20H19N3O2 — CID 31415200

IUPAC(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H19N3O2/c24-20(18-13-21-15-23(18)17-9-5-2-6-10-17)22-11-12-25-19(14-22)16-7-3-1-4-8-16/h1-10,13,15,19H,11-12,14H2/t19-/m1/s1
InChIKeyAWJUYEZHKTUOAI-LJQANCHMSA-N
MW333.39 g/mol
LogP3.09
Rot. Bonds3

About (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone

(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 31415200) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID31415200
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1cncn1-c1ccccc1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H19N3O2/c24-20(18-13-21-15-23(18)17-9-5-2-6-10-17)22-11-12-25-19(14-22)16-7-3-1-4-8-16/h1-10,13,15,19H,11-12,14H2/t19-/m1/s1
InChIKeyAWJUYEZHKTUOAI-LJQANCHMSA-N
XLogP3.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone
CID 100624504
[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51487794
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(3-phenylimidazol-4-yl)methanone
CID 97016712
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
CID 35266981
imidazol-1-yl-(2-phenylmorpholin-4-yl)methanone
CID 112725534
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
(5-bromofuran-2-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31414929
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246

Frequently Asked Questions

What is the IUPAC name of (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 31415200) is (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone is O=C(c1cncn1-c1ccccc1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is AWJUYEZHKTUOAI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(18-13-21-15-23(18)17-9-5-2-6-10-17)22-11-12-25-19(14-22)16-7-3-1-4-8-16/h1-10,13,15,19H,11-12,14H2/t19-/m1/s1.
What are the key properties of (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 31415200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).