(2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol

C24H26N4O — CID 95124168

IUPAC(2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2C[C@@H](O)Cc2ccccc2)c(C)n1
InChIInChI=1S/C24H26N4O/c1-3-28-16-22(18(2)26-28)24-23(20-12-8-5-9-13-20)25-17-27(24)15-21(29)14-19-10-6-4-7-11-19/h4-13,16-17,21,29H,3,14-15H2,1-2H3/t21-/m0/s1
InChIKeyUSGQLASQJUEIHU-NRFANRHFSA-N
MW386.50 g/mol
LogP4.35
Rot. Bonds7

About (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol

(2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol (PubChem CID 95124168) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
PubChem CID95124168
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
SMILESCCn1cc(-c2c(-c3ccccc3)ncn2C[C@@H](O)Cc2ccccc2)c(C)n1
InChIInChI=1S/C24H26N4O/c1-3-28-16-22(18(2)26-28)24-23(20-12-8-5-9-13-20)25-17-27(24)15-21(29)14-19-10-6-4-7-11-19/h4-13,16-17,21,29H,3,14-15H2,1-2H3/t21-/m0/s1
InChIKeyUSGQLASQJUEIHU-NRFANRHFSA-N
XLogP4.35
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
CID 95128424
1-ethyl-3-methyl-4-phenylpyrazole
CID 59678081
5-[[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole
CID 50964725
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984
(2S)-3-[5-(2,6-dimethylphenyl)-4-phenylimidazol-1-yl]propane-1,2-diol
CID 95126287
1-carbazol-9-yl-3-(4,5-diphenylimidazol-1-yl)propan-2-ol
CID 2836174
3-(2-hydroxy-3-phenylpropyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 166190217
(1R)-2-[5-(2-ethoxyphenyl)-4-phenylimidazol-1-yl]-1-pyridin-3-ylethanol
CID 95127760
7-[3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 3435586
4,5-diphenyl-1-propylimidazole
CID 14950648
1-ethyl-4-phenyl-3-phenylmethoxypyrazole
CID 174513301
[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
CID 66509490

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol (CID 95124168) is (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol is CCn1cc(-c2c(-c3ccccc3)ncn2C[C@@H](O)Cc2ccccc2)c(C)n1.
What is the InChIKey of (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol?
The InChIKey is USGQLASQJUEIHU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-28-16-22(18(2)26-28)24-23(20-12-8-5-9-13-20)25-17-27(24)15-21(29)14-19-10-6-4-7-11-19/h4-13,16-17,21,29H,3,14-15H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol?
(2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol has a molecular weight of 386.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 95124168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).