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

C13H16ClN3O — CID 82304273

IUPAC2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCOc1cc(C)c(Cl)cc1-c1cnc(CCN)[nH]1
InChIInChI=1S/C13H16ClN3O/c1-8-5-12(18-2)9(6-10(8)14)11-7-16-13(17-11)3-4-15/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyVYYUZKDBFCTFPQ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.55
Rot. Bonds4

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

2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 82304273) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID82304273
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCOc1cc(C)c(Cl)cc1-c1cnc(CCN)[nH]1
InChIInChI=1S/C13H16ClN3O/c1-8-5-12(18-2)9(6-10(8)14)11-7-16-13(17-11)3-4-15/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyVYYUZKDBFCTFPQ-UHFFFAOYSA-N
XLogP2.55
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82301218
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82304282
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82300135
2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82304626
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine (CID 82304273) is 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine is COc1cc(C)c(Cl)cc1-c1cnc(CCN)[nH]1.
What is the InChIKey of 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is VYYUZKDBFCTFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-5-12(18-2)9(6-10(8)14)11-7-16-13(17-11)3-4-15/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine?
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 265.74 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 82304273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).