4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile

C23H25N5 — CID 166363762

IUPAC4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCC1CN(Cc2ccc(C#N)cc2)CCN1Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C23H25N5/c1-18-15-27(16-20-9-7-19(13-24)8-10-20)11-12-28(18)17-22-14-25-23(26-22)21-5-3-2-4-6-21/h2-10,14,18H,11-12,15-17H2,1H3,(H,25,26)
InChIKeyJCYHATPDAZGBMW-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.65
Rot. Bonds5

About 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile

4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile (PubChem CID 166363762) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
PubChem CID166363762
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
SMILESCC1CN(Cc2ccc(C#N)cc2)CCN1Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C23H25N5/c1-18-15-27(16-20-9-7-19(13-24)8-10-20)11-12-28(18)17-22-14-25-23(26-22)21-5-3-2-4-6-21/h2-10,14,18H,11-12,15-17H2,1H3,(H,25,26)
InChIKeyJCYHATPDAZGBMW-UHFFFAOYSA-N
XLogP3.65
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 10237133
4-[(4-benzylsulfonyl-3-methylpiperazin-1-yl)methyl]benzonitrile
CID 102562213
4-(1,4-dibenzylpiperazin-2-yl)benzonitrile
CID 77150858
2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 18685195
(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine
CID 29183731
4-[(3-benzyl-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,4]benzodiazepin-6-yl)methyl]benzonitrile
CID 67001933
3-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 95301302
[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
CID 75517917
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193
2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine
CID 124576011
4-[[(3S)-3-methyl-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]methyl]benzonitrile
CID 99784284

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile (CID 166363762) is 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile is CC1CN(Cc2ccc(C#N)cc2)CCN1Cc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
The InChIKey is JCYHATPDAZGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-18-15-27(16-20-9-7-19(13-24)8-10-20)11-12-28(18)17-22-14-25-23(26-22)21-5-3-2-4-6-21/h2-10,14,18H,11-12,15-17H2,1H3,(H,25,26).
What are the key properties of 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile?
4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile has a molecular weight of 371.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 166363762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).