1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone

C13H13ClN2O2 — CID 116880660

IUPAC1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
SMILESCOc1cc(C)c(Cl)cc1-c1cnc(C(C)=O)[nH]1
InChIInChI=1S/C13H13ClN2O2/c1-7-4-12(18-3)9(5-10(7)14)11-6-15-13(16-11)8(2)17/h4-6H,1-3H3,(H,15,16)
InChIKeyHFVBCUXCMVAKEZ-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.25
Rot. Bonds3

About 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone

1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone (PubChem CID 116880660) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
PubChem CID116880660
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
SMILESCOc1cc(C)c(Cl)cc1-c1cnc(C(C)=O)[nH]1
InChIInChI=1S/C13H13ClN2O2/c1-7-4-12(18-3)9(5-10(7)14)11-6-15-13(16-11)8(2)17/h4-6H,1-3H3,(H,15,16)
InChIKeyHFVBCUXCMVAKEZ-UHFFFAOYSA-N
XLogP3.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone
CID 116880628
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880715
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880650
2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole
CID 116884250
4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione
CID 95474697
1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
methyl 5-(2-chloro-4-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116880369
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone (CID 116880660) is 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone is COc1cc(C)c(Cl)cc1-c1cnc(C(C)=O)[nH]1.
What is the InChIKey of 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is HFVBCUXCMVAKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-4-12(18-3)9(5-10(7)14)11-6-15-13(16-11)8(2)17/h4-6H,1-3H3,(H,15,16).
What are the key properties of 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone?
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 264.71 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 116880660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).