2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile

C24H21N5 — CID 133430717

IUPAC2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(N3CCCC(c4ncc(-c5ccccc5)[nH]4)C3)ccc2c1
InChIInChI=1S/C24H21N5/c25-14-17-8-10-21-19(13-17)9-11-23(27-21)29-12-4-7-20(16-29)24-26-15-22(28-24)18-5-2-1-3-6-18/h1-3,5-6,8-11,13,15,20H,4,7,12,16H2,(H,26,28)
InChIKeyYNHBXWWXTOFKFT-UHFFFAOYSA-N
MW379.47 g/mol
LogP4.88
Rot. Bonds3

About 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile

2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile (PubChem CID 133430717) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile
PubChem CID133430717
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(N3CCCC(c4ncc(-c5ccccc5)[nH]4)C3)ccc2c1
InChIInChI=1S/C24H21N5/c25-14-17-8-10-21-19(13-17)9-11-23(27-21)29-12-4-7-20(16-29)24-26-15-22(28-24)18-5-2-1-3-6-18/h1-3,5-6,8-11,13,15,20H,4,7,12,16H2,(H,26,28)
InChIKeyYNHBXWWXTOFKFT-UHFFFAOYSA-N
XLogP4.88
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-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

3,5-difluoro-4-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]benzonitrile
CID 133430705
N,N-dimethyl-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidin-4-amine
CID 154782534
2-tert-butyl-4-(methoxymethyl)-6-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 133401848
4-[3-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]morpholine
CID 133430774
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723
2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 124850659
5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133430739
2-(5-azaspiro[2.5]octan-5-yl)quinoline-6-carbonitrile
CID 133480851
4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one
CID 133430779
6-nitro-7-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3H-quinazolin-4-one
CID 137272328
3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride
CID 141220521
1-(3-methoxy-4-nitrophenyl)-3-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 133430754

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile?
The IUPAC name of 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile (CID 133430717) is 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile.
What is the SMILES notation for 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile?
The canonical SMILES for 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile is N#Cc1ccc2nc(N3CCCC(c4ncc(-c5ccccc5)[nH]4)C3)ccc2c1.
What is the InChIKey of 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile?
The InChIKey is YNHBXWWXTOFKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c25-14-17-8-10-21-19(13-17)9-11-23(27-21)29-12-4-7-20(16-29)24-26-15-22(28-24)18-5-2-1-3-6-18/h1-3,5-6,8-11,13,15,20H,4,7,12,16H2,(H,26,28).
What are the key properties of 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile?
2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile has a molecular weight of 379.47 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]quinoline-6-carbonitrile is sourced from PubChem (CID 133430717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).