1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol

C21H22N2O — CID 6270550

IUPAC1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol
SMILESC/C=C/n1ccnc1CC(O)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O/c1-3-14-23-15-13-22-20(23)16-21(24,18-7-5-4-6-8-18)19-11-9-17(2)10-12-19/h3-15,24H,16H2,1-2H3/b14-3+
InChIKeyPAEDDRLKKBJPQF-LZWSPWQCSA-N
MW318.42 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol

1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol (PubChem CID 6270550) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol
PubChem CID6270550
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol
SMILESC/C=C/n1ccnc1CC(O)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O/c1-3-14-23-15-13-22-20(23)16-21(24,18-7-5-4-6-8-18)19-11-9-17(2)10-12-19/h3-15,24H,16H2,1-2H3/b14-3+
InChIKeyPAEDDRLKKBJPQF-LZWSPWQCSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol?
The IUPAC name of 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol (CID 6270550) is 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol?
The canonical SMILES for 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol is C/C=C/n1ccnc1CC(O)(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol?
The InChIKey is PAEDDRLKKBJPQF-LZWSPWQCSA-N. The full InChI is InChI=1S/C21H22N2O/c1-3-14-23-15-13-22-20(23)16-21(24,18-7-5-4-6-8-18)19-11-9-17(2)10-12-19/h3-15,24H,16H2,1-2H3/b14-3+.
What are the key properties of 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol?
1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol has a molecular weight of 318.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-phenyl-2-[1-[(E)-prop-1-enyl]imidazol-2-yl]ethanol is sourced from PubChem (CID 6270550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).