5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline

C12H15N3O — CID 115030164

IUPAC5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
SMILESCCc1ncc(-c2ccc(OC)c(N)c2)[nH]1
InChIInChI=1S/C12H15N3O/c1-3-12-14-7-10(15-12)8-4-5-11(16-2)9(13)6-8/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyVRBMNTHNYXOCIB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds3

About 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline

5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline (PubChem CID 115030164) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
PubChem CID115030164
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
SMILESCCc1ncc(-c2ccc(OC)c(N)c2)[nH]1
InChIInChI=1S/C12H15N3O/c1-3-12-14-7-10(15-12)8-4-5-11(16-2)9(13)6-8/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyVRBMNTHNYXOCIB-UHFFFAOYSA-N
XLogP2.23
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
5-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2-methoxyaniline
CID 115038414
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
CID 115029246
tert-butyl N-[5-(3-amino-4-methoxyphenyl)-1H-imidazol-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175863122
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95466155
5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394076
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
5-(5-tert-butyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394671

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline?
The IUPAC name of 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline (CID 115030164) is 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline?
The canonical SMILES for 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline is CCc1ncc(-c2ccc(OC)c(N)c2)[nH]1.
What is the InChIKey of 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline?
The InChIKey is VRBMNTHNYXOCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-12-14-7-10(15-12)8-4-5-11(16-2)9(13)6-8/h4-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline?
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline has a molecular weight of 217.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline is sourced from PubChem (CID 115030164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).