4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile

C17H11Cl2N3 — CID 82561753

IUPAC4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H11Cl2N3/c18-15-3-1-2-14(16(15)19)17-21-8-9-22(17)11-13-6-4-12(10-20)5-7-13/h1-9H,11H2
InChIKeyKRJGINQCZNZRLD-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.78
Rot. Bonds3

About 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile

4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile (PubChem CID 82561753) has the molecular formula C17H11Cl2N3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile
PubChem CID82561753
Molecular FormulaC17H11Cl2N3
Molecular Weight328.20 g/mol
Exact Mass327.03
IUPAC Name4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2ccnc2-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H11Cl2N3/c18-15-3-1-2-14(16(15)19)17-21-8-9-22(17)11-13-6-4-12(10-20)5-7-13/h1-9H,11H2
InChIKeyKRJGINQCZNZRLD-UHFFFAOYSA-N
XLogP4.78
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561375
4-[(2-pyridin-3-ylimidazol-1-yl)methyl]benzonitrile
CID 67058001
3-[[2-(2-chloro-6-fluorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561650
2-(2,3-dichlorophenyl)-1-methylimidazole
CID 110540593
4-[[2-[(4-chlorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561420
2-[1-[(4-pyrazol-1-ylphenyl)methyl]imidazol-2-yl]benzonitrile
CID 56873300
4-[[1-[(3-chloro-4-phenylphenyl)methyl]imidazol-2-yl]methyl]benzonitrile
CID 57045825
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
4-[(2-cyclopropylimidazol-1-yl)methyl]benzonitrile
CID 82561564
1-[(4-cyanophenyl)methyl]imidazole-2-carboxylic acid
CID 91437687
3-[[2-(trichloromethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561634
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile (CID 82561753) is 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2ccnc2-c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile?
The InChIKey is KRJGINQCZNZRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3/c18-15-3-1-2-14(16(15)19)17-21-8-9-22(17)11-13-6-4-12(10-20)5-7-13/h1-9H,11H2.
What are the key properties of 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile?
4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile has a molecular weight of 328.20 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82561753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).