3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride

C15H18Cl2N4 — CID 141220521

IUPAC3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cccc(-c2cnc(C3CCNCC3)[nH]2)c1
InChIInChI=1S/C15H16N4.2ClH/c16-9-11-2-1-3-13(8-11)14-10-18-15(19-14)12-4-6-17-7-5-12;;/h1-3,8,10,12,17H,4-7H2,(H,18,19);2*1H
InChIKeyLJNLDYVATACWAI-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.26
Rot. Bonds2

About 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride

3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride (PubChem CID 141220521) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride.

Molecular Properties

Compound Name3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride
PubChem CID141220521
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cccc(-c2cnc(C3CCNCC3)[nH]2)c1
InChIInChI=1S/C15H16N4.2ClH/c16-9-11-2-1-3-13(8-11)14-10-18-15(19-14)12-4-6-17-7-5-12;;/h1-3,8,10,12,17H,4-7H2,(H,18,19);2*1H
InChIKeyLJNLDYVATACWAI-UHFFFAOYSA-N
XLogP3.26
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride?
The IUPAC name of 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride (CID 141220521) is 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride.
What is the SMILES notation for 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride?
The canonical SMILES for 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride is Cl.Cl.N#Cc1cccc(-c2cnc(C3CCNCC3)[nH]2)c1.
What is the InChIKey of 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride?
The InChIKey is LJNLDYVATACWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4.2ClH/c16-9-11-2-1-3-13(8-11)14-10-18-15(19-14)12-4-6-17-7-5-12;;/h1-3,8,10,12,17H,4-7H2,(H,18,19);2*1H.
What are the key properties of 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride?
3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride has a molecular weight of 325.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-yl-1H-imidazol-5-yl)benzonitrile;dihydrochloride is sourced from PubChem (CID 141220521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).