4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile

C16H15N5 — CID 107795800

IUPAC4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2cncc2C2CCCCN2)cc1C#N
InChIInChI=1S/C16H15N5/c17-8-12-4-5-14(7-13(12)9-18)21-11-19-10-16(21)15-3-1-2-6-20-15/h4-5,7,10-11,15,20H,1-3,6H2
InChIKeyHPNVUIVSCAHFGR-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.43
Rot. Bonds2

About 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile

4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile (PubChem CID 107795800) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile
PubChem CID107795800
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-n2cncc2C2CCCCN2)cc1C#N
InChIInChI=1S/C16H15N5/c17-8-12-4-5-14(7-13(12)9-18)21-11-19-10-16(21)15-3-1-2-6-20-15/h4-5,7,10-11,15,20H,1-3,6H2
InChIKeyHPNVUIVSCAHFGR-UHFFFAOYSA-N
XLogP2.43
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile 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-bromo-2-(5-piperidin-2-ylimidazol-1-yl)benzonitrile
CID 107802216
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
CID 104943673
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943687

Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile (CID 107795800) is 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile is N#Cc1ccc(-n2cncc2C2CCCCN2)cc1C#N.
What is the InChIKey of 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile?
The InChIKey is HPNVUIVSCAHFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-8-12-4-5-14(7-13(12)9-18)21-11-19-10-16(21)15-3-1-2-6-20-15/h4-5,7,10-11,15,20H,1-3,6H2.
What are the key properties of 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile?
4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-2-ylimidazol-1-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107795800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).