5-benzyl-4-(2-chlorophenyl)-1H-imidazole

C16H13ClN2 — CID 127048015

IUPAC5-benzyl-4-(2-chlorophenyl)-1H-imidazole
SMILESClc1ccccc1-c1nc[nH]c1Cc1ccccc1
InChIInChI=1S/C16H13ClN2/c17-14-9-5-4-8-13(14)16-15(18-11-19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19)
InChIKeyXCZFQJPUQCMOMP-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.32
Rot. Bonds3

About 5-benzyl-4-(2-chlorophenyl)-1H-imidazole

5-benzyl-4-(2-chlorophenyl)-1H-imidazole (PubChem CID 127048015) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-benzyl-4-(2-chlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name5-benzyl-4-(2-chlorophenyl)-1H-imidazole
PubChem CID127048015
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name5-benzyl-4-(2-chlorophenyl)-1H-imidazole
SMILESClc1ccccc1-c1nc[nH]c1Cc1ccccc1
InChIInChI=1S/C16H13ClN2/c17-14-9-5-4-8-13(14)16-15(18-11-19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19)
InChIKeyXCZFQJPUQCMOMP-UHFFFAOYSA-N
XLogP4.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3,4-dichloro-1H-pyrrole
CID 122442244
5-benzyl-1H-imidazole-4-carboxamide
CID 102170188
5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole
CID 132510794
3-amino-1-(5-benzyl-1H-imidazol-4-yl)propane-1-thiol
CID 57260326
(4-phenyl-1H-imidazol-5-yl)methanethiol
CID 174434472
[4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82282609
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
5-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1H-imidazole
CID 68946720
3,6-bis(2-chlorophenyl)-4-phenylpyridazine
CID 18874698
2-(2-chlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 82392303
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanol
CID 117167800
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
CID 105462517

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(2-chlorophenyl)-1H-imidazole?
The IUPAC name of 5-benzyl-4-(2-chlorophenyl)-1H-imidazole (CID 127048015) is 5-benzyl-4-(2-chlorophenyl)-1H-imidazole.
What is the SMILES notation for 5-benzyl-4-(2-chlorophenyl)-1H-imidazole?
The canonical SMILES for 5-benzyl-4-(2-chlorophenyl)-1H-imidazole is Clc1ccccc1-c1nc[nH]c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-(2-chlorophenyl)-1H-imidazole?
The InChIKey is XCZFQJPUQCMOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-14-9-5-4-8-13(14)16-15(18-11-19-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,18,19).
What are the key properties of 5-benzyl-4-(2-chlorophenyl)-1H-imidazole?
5-benzyl-4-(2-chlorophenyl)-1H-imidazole has a molecular weight of 268.75 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(2-chlorophenyl)-1H-imidazole is sourced from PubChem (CID 127048015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).