4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile

C30H35N5O2 — CID 22625903

IUPAC4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile
SMILESCOc1ccc(C2(C(=O)N3CCN(C(Cc4ccc(C#N)cc4)c4cnc[nH]4)CC3)CCCCC2)cc1
InChIInChI=1S/C30H35N5O2/c1-37-26-11-9-25(10-12-26)30(13-3-2-4-14-30)29(36)35-17-15-34(16-18-35)28(27-21-32-22-33-27)19-23-5-7-24(20-31)8-6-23/h5-12,21-22,28H,2-4,13-19H2,1H3,(H,32,33)
InChIKeyWXUUJWGLJXDCJI-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.62
Rot. Bonds7

About 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile

4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile (PubChem CID 22625903) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile
PubChem CID22625903
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC Name4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile
SMILESCOc1ccc(C2(C(=O)N3CCN(C(Cc4ccc(C#N)cc4)c4cnc[nH]4)CC3)CCCCC2)cc1
InChIInChI=1S/C30H35N5O2/c1-37-26-11-9-25(10-12-26)30(13-3-2-4-14-30)29(36)35-17-15-34(16-18-35)28(27-21-32-22-33-27)19-23-5-7-24(20-31)8-6-23/h5-12,21-22,28H,2-4,13-19H2,1H3,(H,32,33)
InChIKeyWXUUJWGLJXDCJI-UHFFFAOYSA-N
XLogP4.62
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]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

4-[2-(1H-imidazol-5-yl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethyl]benzonitrile;dihydrochloride
CID 70105641
4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile
CID 57221334
4-[2-(4-benzhydrylpiperazin-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile
CID 54324948
4-[2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile
CID 22464378
4-[2-(1H-imidazol-5-yl)-2-[4-(2-methylphenyl)-3-oxopiperazin-1-yl]ethyl]benzonitrile
CID 67382866
4-[2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile
CID 18726884
4-[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile;tris(2,2,2-trifluoroacetic acid)
CID 173273387
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 95712054
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate
CID 23384194
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56701547

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile (CID 22625903) is 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile is COc1ccc(C2(C(=O)N3CCN(C(Cc4ccc(C#N)cc4)c4cnc[nH]4)CC3)CCCCC2)cc1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile?
The InChIKey is WXUUJWGLJXDCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-37-26-11-9-25(10-12-26)30(13-3-2-4-14-30)29(36)35-17-15-34(16-18-35)28(27-21-32-22-33-27)19-23-5-7-24(20-31)8-6-23/h5-12,21-22,28H,2-4,13-19H2,1H3,(H,32,33).
What are the key properties of 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile?
4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile has a molecular weight of 497.64 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile is sourced from PubChem (CID 22625903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).