4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride

C23H19ClN4 — CID 70342547

IUPAC4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(Cc2cncn2Cc2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C23H18N4.ClH/c24-13-19-8-6-18(7-9-19)12-22-15-25-17-27(22)16-20-10-11-23(26-14-20)21-4-2-1-3-5-21;/h1-11,14-15,17H,12,16H2;1H
InChIKeyMQYOEVPAFSEWAY-UHFFFAOYSA-N
MW386.89 g/mol
LogP4.88
Rot. Bonds5

About 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride

4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride (PubChem CID 70342547) has the molecular formula C23H19ClN4 and a molecular weight of 386.89 g/mol. Its IUPAC name is 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
PubChem CID70342547
Molecular FormulaC23H19ClN4
Molecular Weight386.89 g/mol
Exact Mass386.13
IUPAC Name4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(Cc2cncn2Cc2ccc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C23H18N4.ClH/c24-13-19-8-6-18(7-9-19)12-22-15-25-17-27(22)16-20-10-11-23(26-14-20)21-4-2-1-3-5-21;/h1-11,14-15,17H,12,16H2;1H
InChIKeyMQYOEVPAFSEWAY-UHFFFAOYSA-N
XLogP4.88
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-[(4-phenyl-1,3-thiazol-2-yl)methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 70342191
4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 22254300
4-[[3-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 70297083
4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 15895919
4-[[5-[(methylideneamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 90951320
phenyl-[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 23592025
4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 18779174
4-[[3-[2-(3-phenyl-1,2-oxazol-5-yl)acetyl]imidazol-4-yl]methyl]benzonitrile
CID 54500200
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid;hydrobromide
CID 70230844
5-[(4-isocyanophenyl)methyl]-1-[(4-phenylphenyl)methyl]imidazole
CID 54110123
4-[[5-(2-oxopropyl)imidazol-1-yl]methyl]benzonitrile
CID 139898426
2-phenyl-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 57329790

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride?
The IUPAC name of 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride (CID 70342547) is 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride is Cl.N#Cc1ccc(Cc2cncn2Cc2ccc(-c3ccccc3)nc2)cc1.
What is the InChIKey of 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride?
The InChIKey is MQYOEVPAFSEWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4.ClH/c24-13-19-8-6-18(7-9-19)12-22-15-25-17-27(22)16-20-10-11-23(26-14-20)21-4-2-1-3-5-21;/h1-11,14-15,17H,12,16H2;1H.
What are the key properties of 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride?
4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride has a molecular weight of 386.89 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 70342547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).