4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride

C22H17Cl2N5O2 — CID 18779780

IUPAC4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(Cn2cncc2C(O)c2ccc(-n3cc(Cl)ccc3=O)nc2)cc1
InChIInChI=1S/C22H16ClN5O2.ClH/c23-18-6-8-21(29)28(13-18)20-7-5-17(10-26-20)22(30)19-11-25-14-27(19)12-16-3-1-15(9-24)2-4-16;/h1-8,10-11,13-14,22,30H,12H2;1H
InChIKeyLCBQLJLHTXFPFH-UHFFFAOYSA-N
MW454.32 g/mol
LogP3.51
Rot. Bonds5

About 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride

4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride (PubChem CID 18779780) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
PubChem CID18779780
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC Name4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(Cn2cncc2C(O)c2ccc(-n3cc(Cl)ccc3=O)nc2)cc1
InChIInChI=1S/C22H16ClN5O2.ClH/c23-18-6-8-21(29)28(13-18)20-7-5-17(10-26-20)22(30)19-11-25-14-27(19)12-16-3-1-15(9-24)2-4-16;/h1-8,10-11,13-14,22,30H,12H2;1H
InChIKeyLCBQLJLHTXFPFH-UHFFFAOYSA-N
XLogP3.51
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride?
The IUPAC name of 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride (CID 18779780) is 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride is Cl.N#Cc1ccc(Cn2cncc2C(O)c2ccc(-n3cc(Cl)ccc3=O)nc2)cc1.
What is the InChIKey of 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride?
The InChIKey is LCBQLJLHTXFPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2.ClH/c23-18-6-8-21(29)28(13-18)20-7-5-17(10-26-20)22(30)19-11-25-14-27(19)12-16-3-1-15(9-24)2-4-16;/h1-8,10-11,13-14,22,30H,12H2;1H.
What are the key properties of 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride?
4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride has a molecular weight of 454.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 18779780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).