4-benzyl-1-[(4-chlorophenyl)methyl]imidazole

C17H15ClN2 — CID 19352208

IUPAC4-benzyl-1-[(4-chlorophenyl)methyl]imidazole
SMILESClc1ccc(Cn2cnc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C17H15ClN2/c18-16-8-6-15(7-9-16)11-20-12-17(19-13-20)10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2
InChIKeyYSSDEMAHXIDBBY-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.18
Rot. Bonds4

About 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole

4-benzyl-1-[(4-chlorophenyl)methyl]imidazole (PubChem CID 19352208) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name4-benzyl-1-[(4-chlorophenyl)methyl]imidazole
PubChem CID19352208
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name4-benzyl-1-[(4-chlorophenyl)methyl]imidazole
SMILESClc1ccc(Cn2cnc(Cc3ccccc3)c2)cc1
InChIInChI=1S/C17H15ClN2/c18-16-8-6-15(7-9-16)11-20-12-17(19-13-20)10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2
InChIKeyYSSDEMAHXIDBBY-UHFFFAOYSA-N
XLogP4.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole?
The IUPAC name of 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole (CID 19352208) is 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole.
What is the SMILES notation for 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole?
The canonical SMILES for 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole is Clc1ccc(Cn2cnc(Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole?
The InChIKey is YSSDEMAHXIDBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-16-8-6-15(7-9-16)11-20-12-17(19-13-20)10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2.
What are the key properties of 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole?
4-benzyl-1-[(4-chlorophenyl)methyl]imidazole has a molecular weight of 282.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(4-chlorophenyl)methyl]imidazole is sourced from PubChem (CID 19352208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).