4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile

C15H15BrN4 — CID 107802216

IUPAC4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(Br)cc1-n1cncc1C1CCCCN1
InChIInChI=1S/C15H15BrN4/c16-12-5-4-11(8-17)14(7-12)20-10-18-9-15(20)13-3-1-2-6-19-13/h4-5,7,9-10,13,19H,1-3,6H2
InChIKeyCDAGVDASCGFHRJ-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.32
Rot. Bonds2

About 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile

4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile (PubChem CID 107802216) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile
PubChem CID107802216
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(Br)cc1-n1cncc1C1CCCCN1
InChIInChI=1S/C15H15BrN4/c16-12-5-4-11(8-17)14(7-12)20-10-18-9-15(20)13-3-1-2-6-19-13/h4-5,7,9-10,13,19H,1-3,6H2
InChIKeyCDAGVDASCGFHRJ-UHFFFAOYSA-N
XLogP3.32
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)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-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile
CID 107795800
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
4-bromo-2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
CID 107802218
1-(3-bromo-5-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 107581323
2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
CID 107608546
2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
CID 114702951
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile?
The IUPAC name of 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile (CID 107802216) is 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile.
What is the SMILES notation for 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile?
The canonical SMILES for 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile is N#Cc1ccc(Br)cc1-n1cncc1C1CCCCN1.
What is the InChIKey of 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile?
The InChIKey is CDAGVDASCGFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c16-12-5-4-11(8-17)14(7-12)20-10-18-9-15(20)13-3-1-2-6-19-13/h4-5,7,9-10,13,19H,1-3,6H2.
What are the key properties of 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile?
4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile has a molecular weight of 331.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile is sourced from PubChem (CID 107802216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).