(2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol

C23H22N4O — CID 50959540

IUPAC(2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)cn1
InChIInChI=1S/C23H22N4O/c1-2-13-26-15-20(14-25-26)23-22(19-11-7-4-8-12-19)24-17-27(23)21(16-28)18-9-5-3-6-10-18/h2-12,14-15,17,21,28H,1,13,16H2/t21-/m1/s1
InChIKeyRGEVFSZERMWNJI-OAQYLSRUSA-N
MW370.46 g/mol
LogP4.18
Rot. Bonds7

About (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol

(2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol (PubChem CID 50959540) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol
PubChem CID50959540
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol
SMILESC=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)cn1
InChIInChI=1S/C23H22N4O/c1-2-13-26-15-20(14-25-26)23-22(19-11-7-4-8-12-19)24-17-27(23)21(16-28)18-9-5-3-6-10-18/h2-12,14-15,17,21,28H,1,13,16H2/t21-/m1/s1
InChIKeyRGEVFSZERMWNJI-OAQYLSRUSA-N
XLogP4.18
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(5-methylpyrazolidin-3-yl)propan-2-yl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
CID 75590083
2-[2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethyl]pyridine
CID 50976189
2-(4-phenylpyrazol-1-yl)acetaldehyde
CID 62770102
4-phenyl-5-(1-phenylethyl)-2-prop-2-enyltriazole
CID 102473644
3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole
CID 95123045
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 99133443
(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
CID 44565856
2-ethyl-4-(4-phenylpyrazol-1-yl)but-2-enoic acid
CID 77101846
3-[(1R)-3-methyl-1-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]butyl]pyridine
CID 95200679
2-(5-phenylpyrimidin-2-yl)sulfanylacetic acid
CID 4104803
3-[1-[5-(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135990218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol (CID 50959540) is (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol is C=CCn1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)cn1.
What is the InChIKey of (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol?
The InChIKey is RGEVFSZERMWNJI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N4O/c1-2-13-26-15-20(14-25-26)23-22(19-11-7-4-8-12-19)24-17-27(23)21(16-28)18-9-5-3-6-10-18/h2-12,14-15,17,21,28H,1,13,16H2/t21-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol?
(2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol has a molecular weight of 370.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazol-1-yl]ethanol is sourced from PubChem (CID 50959540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).