5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline

C13H17N3O — CID 61394076

IUPAC5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline
SMILESCCc1nc(-c2ccc(OC)c(N)c2)[nH]c1C
InChIInChI=1S/C13H17N3O/c1-4-11-8(2)15-13(16-11)9-5-6-12(17-3)10(14)7-9/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyBYXUKECDQJJXGT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.54
Rot. Bonds3

About 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline

5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline (PubChem CID 61394076) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline
PubChem CID61394076
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline
SMILESCCc1nc(-c2ccc(OC)c(N)c2)[nH]c1C
InChIInChI=1S/C13H17N3O/c1-4-11-8(2)15-13(16-11)9-5-6-12(17-3)10(14)7-9/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyBYXUKECDQJJXGT-UHFFFAOYSA-N
XLogP2.54
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.54
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-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2-methoxyaniline
CID 115038414
2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 81137784
4-(4-ethyl-5-methyl-1H-imidazol-2-yl)pyridin-2-amine
CID 102970307
[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409884
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol
CID 81432559
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82285142
2-(4-methoxyphenyl)-5-methyl-4-propyl-1H-imidazole
CID 160651748
2-methoxy-5-(5-methyl-1H-imidazol-4-yl)aniline
CID 115023002
5-(5-tert-butyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394671
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
CID 22412365

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline?
The IUPAC name of 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline (CID 61394076) is 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline?
The canonical SMILES for 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline is CCc1nc(-c2ccc(OC)c(N)c2)[nH]c1C.
What is the InChIKey of 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline?
The InChIKey is BYXUKECDQJJXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-11-8(2)15-13(16-11)9-5-6-12(17-3)10(14)7-9/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline?
5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline has a molecular weight of 231.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline is sourced from PubChem (CID 61394076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).