3-imidazol-1-yl-2-methoxyaniline

C10H11N3O — CID 166843849

IUPAC3-imidazol-1-yl-2-methoxyaniline
SMILESCOc1c(N)cccc1-n1ccnc1
InChIInChI=1S/C10H11N3O/c1-14-10-8(11)3-2-4-9(10)13-6-5-12-7-13/h2-7H,11H2,1H3
InChIKeyOXYILGMMDNAUGW-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.46
Rot. Bonds2

About 3-imidazol-1-yl-2-methoxyaniline

3-imidazol-1-yl-2-methoxyaniline (PubChem CID 166843849) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methoxyaniline.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methoxyaniline
PubChem CID166843849
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-imidazol-1-yl-2-methoxyaniline
SMILESCOc1c(N)cccc1-n1ccnc1
InChIInChI=1S/C10H11N3O/c1-14-10-8(11)3-2-4-9(10)13-6-5-12-7-13/h2-7H,11H2,1H3
InChIKeyOXYILGMMDNAUGW-UHFFFAOYSA-N
XLogP1.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.46
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

2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
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3-imidazol-1-yl-2-(methylsulfanylmethyl)aniline
CID 154245904
1-naphthalen-1-ylimidazole;hydrochloride
CID 175383926
1-[3-(1-benzofuran-2-yl)-2-methoxyphenyl]imidazole
CID 70351166
2-ethyl-6-imidazol-1-ylaniline
CID 84661065
1-[2-(3-methoxyphenyl)phenyl]imidazole
CID 57072963
1-tetracen-1-ylimidazole
CID 175447100
N-(2-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 12911567
N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 47629504
1-(2-imidazol-1-ylphenyl)pyrazole
CID 125480234
1-(2-fluoro-6-imidazol-1-ylphenyl)ethanamine
CID 43188927

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methoxyaniline?
The IUPAC name of 3-imidazol-1-yl-2-methoxyaniline (CID 166843849) is 3-imidazol-1-yl-2-methoxyaniline.
What is the SMILES notation for 3-imidazol-1-yl-2-methoxyaniline?
The canonical SMILES for 3-imidazol-1-yl-2-methoxyaniline is COc1c(N)cccc1-n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2-methoxyaniline?
The InChIKey is OXYILGMMDNAUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-14-10-8(11)3-2-4-9(10)13-6-5-12-7-13/h2-7H,11H2,1H3.
What are the key properties of 3-imidazol-1-yl-2-methoxyaniline?
3-imidazol-1-yl-2-methoxyaniline has a molecular weight of 189.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methoxyaniline is sourced from PubChem (CID 166843849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).