2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

C21H21ClN6O — CID 56520586

IUPAC2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCc1cn(CN2CCN(c3cc(C#N)ccn3)CC2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN6O/c1-16-14-27(21(29)28(16)19-4-2-18(22)3-5-19)15-25-8-10-26(11-9-25)20-12-17(13-23)6-7-24-20/h2-7,12,14H,8-11,15H2,1H3
InChIKeyUQYJLFYYCFXYIN-UHFFFAOYSA-N
MW408.89 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 56520586) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID56520586
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC Name2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCc1cn(CN2CCN(c3cc(C#N)ccn3)CC2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN6O/c1-16-14-27(21(29)28(16)19-4-2-18(22)3-5-19)15-25-8-10-26(11-9-25)20-12-17(13-23)6-7-24-20/h2-7,12,14H,8-11,15H2,1H3
InChIKeyUQYJLFYYCFXYIN-UHFFFAOYSA-N
XLogP2.65
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile 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

2-[4-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24663813
2-[4-[[3-(4-chlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24663836
2-[4-[[3-(3,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24663885
2-[4-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24663921
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 24699773
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24663868
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24663821
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36634426
2-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperazin-1-yl]pyridine-4-carbonitrile
CID 67576302

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 56520586) is 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile is Cc1cn(CN2CCN(c3cc(C#N)ccn3)CC2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is UQYJLFYYCFXYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O/c1-16-14-27(21(29)28(16)19-4-2-18(22)3-5-19)15-25-8-10-26(11-9-25)20-12-17(13-23)6-7-24-20/h2-7,12,14H,8-11,15H2,1H3.
What are the key properties of 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 408.89 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 56520586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).