2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile

C20H19N3O — CID 82561426

IUPAC2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESCOc1ccc(CCc2nccn2Cc2ccccc2C#N)cc1
InChIInChI=1S/C20H19N3O/c1-24-19-9-6-16(7-10-19)8-11-20-22-12-13-23(20)15-18-5-3-2-4-17(18)14-21/h2-7,9-10,12-13H,8,11,15H2,1H3
InChIKeyWDZRUNKXNPYRPV-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.60
Rot. Bonds6

About 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile

2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561426) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID82561426
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESCOc1ccc(CCc2nccn2Cc2ccccc2C#N)cc1
InChIInChI=1S/C20H19N3O/c1-24-19-9-6-16(7-10-19)8-11-20-22-12-13-23(20)15-18-5-3-2-4-17(18)14-21/h2-7,9-10,12-13H,8,11,15H2,1H3
InChIKeyWDZRUNKXNPYRPV-UHFFFAOYSA-N
XLogP3.60
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561434
2-[2-(4-methoxyphenyl)ethyl]benzonitrile
CID 70516707
2-[[2-(2-aminopropyl)imidazol-1-yl]methyl]benzonitrile
CID 63096527
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62223246
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
2-[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]ethanol
CID 82560023
2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561546
2-[[2-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221269
2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 106788433
2-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561566
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile (CID 82561426) is 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile is COc1ccc(CCc2nccn2Cc2ccccc2C#N)cc1.
What is the InChIKey of 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is WDZRUNKXNPYRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-24-19-9-6-16(7-10-19)8-11-20-22-12-13-23(20)15-18-5-3-2-4-17(18)14-21/h2-7,9-10,12-13H,8,11,15H2,1H3.
What are the key properties of 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile?
2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 317.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).