3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol

C18H14N2O — CID 129316283

IUPAC3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol
SMILESOC(C#Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H14N2O/c21-17(12-11-14-7-3-1-4-8-14)18-19-13-16(20-18)15-9-5-2-6-10-15/h1-10,13,17,21H,(H,19,20)
InChIKeySRFGECGHMPJEFH-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.16
Rot. Bonds2

About 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol

3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol (PubChem CID 129316283) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol
PubChem CID129316283
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol
SMILESOC(C#Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H14N2O/c21-17(12-11-14-7-3-1-4-8-14)18-19-13-16(20-18)15-9-5-2-6-10-15/h1-10,13,17,21H,(H,19,20)
InChIKeySRFGECGHMPJEFH-UHFFFAOYSA-N
XLogP3.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine
CID 67214897
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
2-(5-phenyl-1H-imidazol-2-yl)butanenitrile
CID 116883109
2-(5-phenyl-1H-imidazol-2-yl)butan-1-amine
CID 65233105
2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol
CID 141125833
1-[5-[4-[2-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
CID 123380486
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
2-methylsulfanyl-5-phenyl-1H-imidazole
CID 3904984
phenyl-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942875
2,5-diphenyl-1H-imidazole;1H-pyrrole
CID 174802105
(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol
CID 872569
2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride
CID 139644021

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol (CID 129316283) is 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol is OC(C#Cc1ccccc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol?
The InChIKey is SRFGECGHMPJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-17(12-11-14-7-3-1-4-8-14)18-19-13-16(20-18)15-9-5-2-6-10-15/h1-10,13,17,21H,(H,19,20).
What are the key properties of 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol?
3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol has a molecular weight of 274.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(5-phenyl-1H-imidazol-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 129316283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).