2-(4-chloroimidazol-1-yl)-5-methoxyaniline

C10H10ClN3O — CID 174637805

IUPAC2-(4-chloroimidazol-1-yl)-5-methoxyaniline
SMILESCOc1ccc(-n2cnc(Cl)c2)c(N)c1
InChIInChI=1S/C10H10ClN3O/c1-15-7-2-3-9(8(12)4-7)14-5-10(11)13-6-14/h2-6H,12H2,1H3
InChIKeyCSGDBAYVBQZRQX-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.12
Rot. Bonds2

About 2-(4-chloroimidazol-1-yl)-5-methoxyaniline

2-(4-chloroimidazol-1-yl)-5-methoxyaniline (PubChem CID 174637805) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(4-chloroimidazol-1-yl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(4-chloroimidazol-1-yl)-5-methoxyaniline
PubChem CID174637805
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-(4-chloroimidazol-1-yl)-5-methoxyaniline
SMILESCOc1ccc(-n2cnc(Cl)c2)c(N)c1
InChIInChI=1S/C10H10ClN3O/c1-15-7-2-3-9(8(12)4-7)14-5-10(11)13-6-14/h2-6H,12H2,1H3
InChIKeyCSGDBAYVBQZRQX-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloroimidazol-1-yl)-3-methoxyaniline
CID 58075757
2-(4-chloroimidazol-1-yl)-3-fluoro-5-methoxyaniline
CID 174637804
2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline
CID 40802818
[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
CID 82475495
1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid
CID 82480116
2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 96662978
1-(2-amino-4-methoxyphenyl)azetidin-2-one
CID 107342099
2-(5-tert-butyltetrazol-1-yl)-5-methoxyaniline
CID 55034348
2-(3-ethylazetidin-1-yl)-5-methoxyaniline
CID 79688157
3-(2-amino-4-methoxyphenyl)imidazolidine-2,4-dione
CID 107841907
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
2-iodo-5-methoxyaniline
CID 11139508

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroimidazol-1-yl)-5-methoxyaniline?
The IUPAC name of 2-(4-chloroimidazol-1-yl)-5-methoxyaniline (CID 174637805) is 2-(4-chloroimidazol-1-yl)-5-methoxyaniline.
What is the SMILES notation for 2-(4-chloroimidazol-1-yl)-5-methoxyaniline?
The canonical SMILES for 2-(4-chloroimidazol-1-yl)-5-methoxyaniline is COc1ccc(-n2cnc(Cl)c2)c(N)c1.
What is the InChIKey of 2-(4-chloroimidazol-1-yl)-5-methoxyaniline?
The InChIKey is CSGDBAYVBQZRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-15-7-2-3-9(8(12)4-7)14-5-10(11)13-6-14/h2-6H,12H2,1H3.
What are the key properties of 2-(4-chloroimidazol-1-yl)-5-methoxyaniline?
2-(4-chloroimidazol-1-yl)-5-methoxyaniline has a molecular weight of 223.66 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroimidazol-1-yl)-5-methoxyaniline is sourced from PubChem (CID 174637805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).