2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile

C17H12ClN3 — CID 82561625

IUPAC2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccnc1-c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3/c18-16-7-3-6-13(10-16)17-20-8-9-21(17)12-15-5-2-1-4-14(15)11-19/h1-10H,12H2
InChIKeyGKBNBGSKGZNFFR-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.12
Rot. Bonds3

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

2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561625) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
PubChem CID82561625
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1ccnc1-c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3/c18-16-7-3-6-13(10-16)17-20-8-9-21(17)12-15-5-2-1-4-14(15)11-19/h1-10H,12H2
InChIKeyGKBNBGSKGZNFFR-UHFFFAOYSA-N
XLogP4.12
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzonitrile
CID 82561735
2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561434
3-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82559182
2-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561566
3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560593
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
2-[[2-(2-aminopropyl)imidazol-1-yl]methyl]benzonitrile
CID 63096527
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62223246
3-[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]benzonitrile
CID 155910347

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile (CID 82561625) is 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1ccnc1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile?
The InChIKey is GKBNBGSKGZNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-16-7-3-6-13(10-16)17-20-8-9-21(17)12-15-5-2-1-4-14(15)11-19/h1-10H,12H2.
What are the key properties of 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile?
2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile has a molecular weight of 293.76 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).