3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile

C17H14N4 — CID 82561391

IUPAC3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2ccnc2Cc2ccncc2)c1
InChIInChI=1S/C17H14N4/c18-12-15-2-1-3-16(10-15)13-21-9-8-20-17(21)11-14-4-6-19-7-5-14/h1-10H,11,13H2
InChIKeyCEDUOWDYHGXJMM-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.79
Rot. Bonds4

About 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile

3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561391) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile
PubChem CID82561391
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2ccnc2Cc2ccncc2)c1
InChIInChI=1S/C17H14N4/c18-12-15-2-1-3-16(10-15)13-21-9-8-20-17(21)11-14-4-6-19-7-5-14/h1-10H,11,13H2
InChIKeyCEDUOWDYHGXJMM-UHFFFAOYSA-N
XLogP2.79
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(aminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221228
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzoic acid
CID 82559941
3-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561567
3-[[2-(trichloromethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561634
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile
CID 57045825
2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
CID 82559937
2-[1-[(3-cyanophenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 62313331
3-[[2-(methylaminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 66402324

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile (CID 82561391) is 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile is N#Cc1cccc(Cn2ccnc2Cc2ccncc2)c1.
What is the InChIKey of 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile?
The InChIKey is CEDUOWDYHGXJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-12-15-2-1-3-16(10-15)13-21-9-8-20-17(21)11-14-4-6-19-7-5-14/h1-10H,11,13H2.
What are the key properties of 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile?
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile has a molecular weight of 274.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).