1-(chloromethyl)-4-(4-methoxyphenyl)imidazole

C11H11ClN2O — CID 53415933

IUPAC1-(chloromethyl)-4-(4-methoxyphenyl)imidazole
SMILESCOc1ccc(-c2cn(CCl)cn2)cc1
InChIInChI=1S/C11H11ClN2O/c1-15-10-4-2-9(3-5-10)11-6-14(7-12)8-13-11/h2-6,8H,7H2,1H3
InChIKeyYAMDQVNXCAWRBA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.76
Rot. Bonds3

About 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole

1-(chloromethyl)-4-(4-methoxyphenyl)imidazole (PubChem CID 53415933) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(chloromethyl)-4-(4-methoxyphenyl)imidazole
PubChem CID53415933
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-(chloromethyl)-4-(4-methoxyphenyl)imidazole
SMILESCOc1ccc(-c2cn(CCl)cn2)cc1
InChIInChI=1S/C11H11ClN2O/c1-15-10-4-2-9(3-5-10)11-6-14(7-12)8-13-11/h2-6,8H,7H2,1H3
InChIKeyYAMDQVNXCAWRBA-UHFFFAOYSA-N
XLogP2.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-4-(4-methylphenyl)imidazole
CID 91755144
4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694797
2-(4-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56658949
7-(chloromethyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 82064434
5-(chloromethyl)-2-(4-methoxyphenyl)pyridine
CID 2763864
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
4-chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460620

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole?
The IUPAC name of 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole (CID 53415933) is 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole.
What is the SMILES notation for 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole?
The canonical SMILES for 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole is COc1ccc(-c2cn(CCl)cn2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole?
The InChIKey is YAMDQVNXCAWRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-15-10-4-2-9(3-5-10)11-6-14(7-12)8-13-11/h2-6,8H,7H2,1H3.
What are the key properties of 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole?
1-(chloromethyl)-4-(4-methoxyphenyl)imidazole has a molecular weight of 222.68 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(4-methoxyphenyl)imidazole is sourced from PubChem (CID 53415933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).