2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol

C21H20N4O — CID 50971250

IUPAC2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
SMILESCc1cccc(-n2ccnc2-c2c(-c3ccccc3)ncn2CCO)c1
InChIInChI=1S/C21H20N4O/c1-16-6-5-9-18(14-16)25-11-10-22-21(25)20-19(17-7-3-2-4-8-17)23-15-24(20)12-13-26/h2-11,14-15,26H,12-13H2,1H3
InChIKeyJVWYHEHCVCYKNY-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.70
Rot. Bonds5

About 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol

2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol (PubChem CID 50971250) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
PubChem CID50971250
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol
SMILESCc1cccc(-n2ccnc2-c2c(-c3ccccc3)ncn2CCO)c1
InChIInChI=1S/C21H20N4O/c1-16-6-5-9-18(14-16)25-11-10-22-21(25)20-19(17-7-3-2-4-8-17)23-15-24(20)12-13-26/h2-11,14-15,26H,12-13H2,1H3
InChIKeyJVWYHEHCVCYKNY-UHFFFAOYSA-N
XLogP3.70
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol (CID 50971250) is 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol is Cc1cccc(-n2ccnc2-c2c(-c3ccccc3)ncn2CCO)c1.
What is the InChIKey of 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol?
The InChIKey is JVWYHEHCVCYKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-16-6-5-9-18(14-16)25-11-10-22-21(25)20-19(17-7-3-2-4-8-17)23-15-24(20)12-13-26/h2-11,14-15,26H,12-13H2,1H3.
What are the key properties of 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol?
2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol has a molecular weight of 344.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(3-methylphenyl)imidazol-2-yl]-4-phenylimidazol-1-yl]ethanol is sourced from PubChem (CID 50971250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).