4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile

C25H21N3O — CID 20691443

IUPAC4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2)cc1OCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21N3O/c26-17-24-11-8-21(18-28-14-13-27-19-28)16-25(24)29-15-12-20-6-9-23(10-7-20)22-4-2-1-3-5-22/h1-11,13-14,16,19H,12,15,18H2
InChIKeyZMHFYICSWNADEI-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.09
Rot. Bonds7

About 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile

4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile (PubChem CID 20691443) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile
PubChem CID20691443
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2)cc1OCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21N3O/c26-17-24-11-8-21(18-28-14-13-27-19-28)16-25(24)29-15-12-20-6-9-23(10-7-20)22-4-2-1-3-5-22/h1-11,13-14,16,19H,12,15,18H2
InChIKeyZMHFYICSWNADEI-UHFFFAOYSA-N
XLogP5.09
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acrylic acid derivative, 9
CID 10199656
Acrylic acid derivative, 10
CID 10271818
Acrylic acid derivative, 12
CID 10294289
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
2-(2,3-Dimethoxy-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 9862539
7-(1H-Imidazol-1-ylmethyl)-2H-chromen-2-one
CID 11401873
2,4-Trans-4'-cyano-4-imidazolyl-7-methoxyflavan, 3c
CID 54587195
6-({[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethyl]-amino}-methyl)-3''''-ethoxy-biphenyl-3-carbonitrile
CID 16726090
N-[[4-cyano-2-(3-ethoxyphenyl)phenyl]methyl]-N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]acetamide
CID 44394915
6-[3-(4-Cyano-benzyl)-3H-imidazol-4-ylmethoxymethyl]-3''-ethoxy-biphenyl-3-carbonitrile
CID 44394924
4-[[[3-[(4-Cyanophenyl)methyl]imidazol-4-yl]methyl-methylamino]methyl]-3-(3-ethoxyphenyl)benzonitrile
CID 44394934
4-[[3-[(4-Cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]-3-(3-methoxyphenyl)benzonitrile
CID 44394940

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile?
The IUPAC name of 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile (CID 20691443) is 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile is N#Cc1ccc(Cn2ccnc2)cc1OCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile?
The InChIKey is ZMHFYICSWNADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c26-17-24-11-8-21(18-28-14-13-27-19-28)16-25(24)29-15-12-20-6-9-23(10-7-20)22-4-2-1-3-5-22/h1-11,13-14,16,19H,12,15,18H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile?
4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile has a molecular weight of 379.46 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-2-[2-(4-phenylphenyl)ethoxy]benzonitrile is sourced from PubChem (CID 20691443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).