4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile

C26H24N6O — CID 57221334

IUPAC4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile
SMILESN#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C26H24N6O/c27-16-20-7-5-19(6-8-20)15-25(24-17-28-18-29-24)31-11-13-32(14-12-31)26(33)23-10-9-21-3-1-2-4-22(21)30-23/h1-10,17-18,25H,11-15H2,(H,28,29)
InChIKeyGCXZTSJOILNHHO-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.57
Rot. Bonds5

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

4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile (PubChem CID 57221334) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile
PubChem CID57221334
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile
SMILESN#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C26H24N6O/c27-16-20-7-5-19(6-8-20)15-25(24-17-28-18-29-24)31-11-13-32(14-12-31)26(33)23-10-9-21-3-1-2-4-22(21)30-23/h1-10,17-18,25H,11-15H2,(H,28,29)
InChIKeyGCXZTSJOILNHHO-UHFFFAOYSA-N
XLogP3.57
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)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-(4-benzhydrylpiperazin-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile
CID 54324948
4-[2-(1H-imidazol-5-yl)-2-[4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]piperazin-1-yl]ethyl]benzonitrile
CID 22625903
4-[2-(1H-imidazol-5-yl)-2-[4-(2-methylphenyl)-3-oxopiperazin-1-yl]ethyl]benzonitrile
CID 67382866
4-[2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile
CID 22464378
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
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 9109587
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
2,6-dichloro-4-[2-[4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazin-1-yl]-2-(1H-imidazol-5-yl)ethyl]benzonitrile
CID 70009536

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile (CID 57221334) is 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile is N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile?
The InChIKey is GCXZTSJOILNHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c27-16-20-7-5-19(6-8-20)15-25(24-17-28-18-29-24)31-11-13-32(14-12-31)26(33)23-10-9-21-3-1-2-4-22(21)30-23/h1-10,17-18,25H,11-15H2,(H,28,29).
What are the key properties of 4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile?
4-[2-(1H-imidazol-5-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile has a molecular weight of 436.52 g/mol, XLogP of 3.57, 5 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-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]benzonitrile is sourced from PubChem (CID 57221334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).