1-benzyl-2-chloroimidazole

C10H9ClN2 — CID 11629752

IUPAC1-benzyl-2-chloroimidazole
SMILESClc1nccn1Cc1ccccc1
InChIInChI=1S/C10H9ClN2/c11-10-12-6-7-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyMAESQLIHFFADOZ-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.58
Rot. Bonds2

About 1-benzyl-2-chloroimidazole

1-benzyl-2-chloroimidazole (PubChem CID 11629752) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-benzyl-2-chloroimidazole.

Molecular Properties

Compound Name1-benzyl-2-chloroimidazole
PubChem CID11629752
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name1-benzyl-2-chloroimidazole
SMILESClc1nccn1Cc1ccccc1
InChIInChI=1S/C10H9ClN2/c11-10-12-6-7-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyMAESQLIHFFADOZ-UHFFFAOYSA-N
XLogP2.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-2-methylimidazole
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(1-benzylimidazol-2-yl)methanamine;dihydrochloride
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2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
1-benzyl-2-[(4-chlorophenyl)methylsulfanyl]imidazole
CID 788065
(1-benzylimidazol-2-yl)-(2-chlorophenyl)diazene
CID 100940168
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
6-[(2-chloroimidazol-1-yl)methyl]-3-phenyl-1H-pyridin-2-one
CID 178078686
1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
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1-benzyl-2-phenylimidazole;formic acid
CID 158419728

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-chloroimidazole?
The IUPAC name of 1-benzyl-2-chloroimidazole (CID 11629752) is 1-benzyl-2-chloroimidazole.
What is the SMILES notation for 1-benzyl-2-chloroimidazole?
The canonical SMILES for 1-benzyl-2-chloroimidazole is Clc1nccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-chloroimidazole?
The InChIKey is MAESQLIHFFADOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-12-6-7-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-benzyl-2-chloroimidazole?
1-benzyl-2-chloroimidazole has a molecular weight of 192.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-chloroimidazole is sourced from PubChem (CID 11629752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).