(2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol

C21H20N4O — CID 50978164

IUPAC(2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol
SMILESCc1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)n[nH]1
InChIInChI=1S/C21H20N4O/c1-15-12-18(24-23-15)21-20(17-10-6-3-7-11-17)22-14-25(21)19(13-26)16-8-4-2-5-9-16/h2-12,14,19,26H,13H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeyNENWKAFTHKMUET-LJQANCHMSA-N
MW344.42 g/mol
LogP3.83
Rot. Bonds5

About (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol

(2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol (PubChem CID 50978164) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol
PubChem CID50978164
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol
SMILESCc1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)n[nH]1
InChIInChI=1S/C21H20N4O/c1-15-12-18(24-23-15)21-20(17-10-6-3-7-11-17)22-14-25(21)19(13-26)16-8-4-2-5-9-16/h2-12,14,19,26H,13H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeyNENWKAFTHKMUET-LJQANCHMSA-N
XLogP3.83
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol?
The IUPAC name of (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol (CID 50978164) is (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol?
The canonical SMILES for (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol is Cc1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)n[nH]1.
What is the InChIKey of (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol?
The InChIKey is NENWKAFTHKMUET-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-12-18(24-23-15)21-20(17-10-6-3-7-11-17)22-14-25(21)19(13-26)16-8-4-2-5-9-16/h2-12,14,19,26H,13H2,1H3,(H,23,24)/t19-/m1/s1.
What are the key properties of (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol?
(2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol has a molecular weight of 344.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol is sourced from PubChem (CID 50978164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).