3-[(2-phenylimidazol-1-yl)methyl]benzonitrile

C17H13N3 — CID 61071786

IUPAC3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1cccc(Cn2ccnc2-c2ccccc2)c1
InChIInChI=1S/C17H13N3/c18-12-14-5-4-6-15(11-14)13-20-10-9-19-17(20)16-7-2-1-3-8-16/h1-11H,13H2
InChIKeyDTCZRKYMVGANQG-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.47
Rot. Bonds3

About 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile

3-[(2-phenylimidazol-1-yl)methyl]benzonitrile (PubChem CID 61071786) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
PubChem CID61071786
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1cccc(Cn2ccnc2-c2ccccc2)c1
InChIInChI=1S/C17H13N3/c18-12-14-5-4-6-15(11-14)13-20-10-9-19-17(20)16-7-2-1-3-8-16/h1-11H,13H2
InChIKeyDTCZRKYMVGANQG-UHFFFAOYSA-N
XLogP3.47
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-nitrophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561642
[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561650
3-[[2-(aminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221228
3-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561567
3-[[2-(trichloromethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561634
3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
CID 155910347
3-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561391
2-[1-[(3-cyanophenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 62313331
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
1-benzyl-2-phenylimidazole;formic acid
CID 158419728
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 167429823

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile (CID 61071786) is 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile is N#Cc1cccc(Cn2ccnc2-c2ccccc2)c1.
What is the InChIKey of 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
The InChIKey is DTCZRKYMVGANQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-12-14-5-4-6-15(11-14)13-20-10-9-19-17(20)16-7-2-1-3-8-16/h1-11H,13H2.
What are the key properties of 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile?
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 61071786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).