4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile

C24H19N3O2 — CID 142627977

IUPAC4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2cncn2Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H19N3O2/c25-14-18-6-10-20(11-7-18)24(28)23-15-26-17-27(23)16-19-8-12-22(13-9-19)29-21-4-2-1-3-5-21/h1-13,15,17,24,28H,16H2
InChIKeyDLDPQKPMSVPRIV-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.68
Rot. Bonds6

About 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile

4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile (PubChem CID 142627977) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
PubChem CID142627977
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2cncn2Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C24H19N3O2/c25-14-18-6-10-20(11-7-18)24(28)23-15-26-17-27(23)16-19-8-12-22(13-9-19)29-21-4-2-1-3-5-21/h1-13,15,17,24,28H,16H2
InChIKeyDLDPQKPMSVPRIV-UHFFFAOYSA-N
XLogP4.68
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 18779781
4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 70286456
4-[[5-[[butyl-[(4-phenoxyphenyl)methyl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 19707482
phenyl-[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 23592025
(3-ethylimidazol-4-yl)-(4-propoxyphenyl)methanol
CID 66135578
4-(4-benzylphenoxy)benzonitrile
CID 134587761
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid;hydrobromide
CID 70230844
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
CID 89274843
CID 89274843
4-[[3-[[2-(4-bromophenyl)ethyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
CID 23575114
4-[[5-(2-oxopropyl)imidazol-1-yl]methyl]benzonitrile
CID 139898426
4-[(3-cyanophenyl)methyl]-1-[1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 70204924

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile (CID 142627977) is 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile is N#Cc1ccc(C(O)c2cncn2Cc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The InChIKey is DLDPQKPMSVPRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-14-18-6-10-20(11-7-18)24(28)23-15-26-17-27(23)16-19-8-12-22(13-9-19)29-21-4-2-1-3-5-21/h1-13,15,17,24,28H,16H2.
What are the key properties of 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile?
4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile has a molecular weight of 381.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 142627977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).