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

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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).