2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole

C14H17ClN2O — CID 116878079

IUPAC2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole
SMILESCOc1c(C)cc(-c2cnc(CCl)[nH]2)c(C)c1C
InChIInChI=1S/C14H17ClN2O/c1-8-5-11(9(2)10(3)14(8)18-4)12-7-16-13(6-15)17-12/h5,7H,6H2,1-4H3,(H,16,17)
InChIKeyRYNAPTSZQBTQDX-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.75
Rot. Bonds3

About 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole

2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole (PubChem CID 116878079) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole
PubChem CID116878079
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole
SMILESCOc1c(C)cc(-c2cnc(CCl)[nH]2)c(C)c1C
InChIInChI=1S/C14H17ClN2O/c1-8-5-11(9(2)10(3)14(8)18-4)12-7-16-13(6-15)17-12/h5,7H,6H2,1-4H3,(H,16,17)
InChIKeyRYNAPTSZQBTQDX-UHFFFAOYSA-N
XLogP3.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82301218
[5-(5-chloro-2-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879196
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 96669273
2-(chloromethyl)-5-(3-methylthiophen-2-yl)-1H-imidazole
CID 116878147
4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116892294
2-[5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazol-2-yl]ethanol
CID 116878374
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine
CID 116879386
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
1-[5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95475764

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole?
The IUPAC name of 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole (CID 116878079) is 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole?
The canonical SMILES for 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole is COc1c(C)cc(-c2cnc(CCl)[nH]2)c(C)c1C.
What is the InChIKey of 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole?
The InChIKey is RYNAPTSZQBTQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-8-5-11(9(2)10(3)14(8)18-4)12-7-16-13(6-15)17-12/h5,7H,6H2,1-4H3,(H,16,17).
What are the key properties of 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole?
2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole has a molecular weight of 264.76 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazole is sourced from PubChem (CID 116878079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).