4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile

C24H19N3O — CID 70134318

IUPAC4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile
SMILESCn1cncc1C(O)c1ccc(C#N)c(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H19N3O/c1-27-16-26-15-23(27)24(28)20-10-11-21(14-25)22(13-20)19-9-5-8-18(12-19)17-6-3-2-4-7-17/h2-13,15-16,24,28H,1H3
InChIKeyUJUJUEMKLTZDQE-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.71
Rot. Bonds4

About 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile

4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile (PubChem CID 70134318) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile.

Molecular Properties

Compound Name4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile
PubChem CID70134318
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile
SMILESCn1cncc1C(O)c1ccc(C#N)c(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H19N3O/c1-27-16-26-15-23(27)24(28)20-10-11-21(14-25)22(13-20)19-9-5-8-18(12-19)17-6-3-2-4-7-17/h2-13,15-16,24,28H,1H3
InChIKeyUJUJUEMKLTZDQE-UHFFFAOYSA-N
XLogP4.71
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile?
The IUPAC name of 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile (CID 70134318) is 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile.
What is the SMILES notation for 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile?
The canonical SMILES for 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile is Cn1cncc1C(O)c1ccc(C#N)c(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile?
The InChIKey is UJUJUEMKLTZDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-27-16-26-15-23(27)24(28)20-10-11-21(14-25)22(13-20)19-9-5-8-18(12-19)17-6-3-2-4-7-17/h2-13,15-16,24,28H,1H3.
What are the key properties of 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile?
4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile has a molecular weight of 365.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(3-methylimidazol-4-yl)methyl]-2-(3-phenylphenyl)benzonitrile is sourced from PubChem (CID 70134318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).