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

C22H17Cl2N5O2 — CID 70286456

IUPAC4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(Cn2cncc2[C@H](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/t22-;/m1./s1
InChIKeyLCBQLJLHTXFPFH-VZYDHVRKSA-N
MW454.32 g/mol
LogP3.51
Rot. Bonds5

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

4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride (PubChem CID 70286456) has the molecular formula C22H17Cl2N5O2 and a molecular weight of 454.32 g/mol. Its IUPAC name is 4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
PubChem CID70286456
Molecular FormulaC22H17Cl2N5O2
Molecular Weight454.32 g/mol
Exact Mass453.08
IUPAC Name4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(Cn2cncc2[C@H](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/t22-;/m1./s1
InChIKeyLCBQLJLHTXFPFH-VZYDHVRKSA-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-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride with MolForge

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Related Compounds

4-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 18779781
5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
CID 18779722
4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 142627977
4-[[5-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-methoxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 58906527
4-[(4-chloro-6-oxopyrimidin-1-yl)methyl]benzonitrile
CID 114582271
[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol
CID 54191891
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid;hydrobromide
CID 70230844
4-[[5-(2-oxopropyl)imidazol-1-yl]methyl]benzonitrile
CID 139898426
1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide
CID 23292057
4-[(3-cyanophenyl)methyl]-1-[1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 70204924
phenyl-[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 23592025
1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carbonitrile
CID 154604138

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride?
The IUPAC name of 4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride (CID 70286456) is 4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride is Cl.N#Cc1ccc(Cn2cncc2[C@H](O)c2ccc(-n3cc(Cl)ccc3=O)nc2)cc1.
What is the InChIKey of 4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride?
The InChIKey is LCBQLJLHTXFPFH-VZYDHVRKSA-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/t22-;/m1./s1.
What are the key properties of 4-[[5-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride?
4-[[5-[(R)-[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-[(R)-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 70286456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).