4-(3-ethyl-2H-imidazol-1-yl)aniline

C11H15N3 — CID 174696126

IUPAC4-(3-ethyl-2H-imidazol-1-yl)aniline
SMILESCCN1C=CN(c2ccc(N)cc2)C1
InChIInChI=1S/C11H15N3/c1-2-13-7-8-14(9-13)11-5-3-10(12)4-6-11/h3-8H,2,9,12H2,1H3
InChIKeyWDMZWVUVANBNGN-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.84
Rot. Bonds2

About 4-(3-ethyl-2H-imidazol-1-yl)aniline

4-(3-ethyl-2H-imidazol-1-yl)aniline (PubChem CID 174696126) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(3-ethyl-2H-imidazol-1-yl)aniline.

Molecular Properties

Compound Name4-(3-ethyl-2H-imidazol-1-yl)aniline
PubChem CID174696126
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-(3-ethyl-2H-imidazol-1-yl)aniline
SMILESCCN1C=CN(c2ccc(N)cc2)C1
InChIInChI=1S/C11H15N3/c1-2-13-7-8-14(9-13)11-5-3-10(12)4-6-11/h3-8H,2,9,12H2,1H3
InChIKeyWDMZWVUVANBNGN-UHFFFAOYSA-N
XLogP1.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2H-imidazol-1-yl)aniline?
The IUPAC name of 4-(3-ethyl-2H-imidazol-1-yl)aniline (CID 174696126) is 4-(3-ethyl-2H-imidazol-1-yl)aniline.
What is the SMILES notation for 4-(3-ethyl-2H-imidazol-1-yl)aniline?
The canonical SMILES for 4-(3-ethyl-2H-imidazol-1-yl)aniline is CCN1C=CN(c2ccc(N)cc2)C1.
What is the InChIKey of 4-(3-ethyl-2H-imidazol-1-yl)aniline?
The InChIKey is WDMZWVUVANBNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-13-7-8-14(9-13)11-5-3-10(12)4-6-11/h3-8H,2,9,12H2,1H3.
What are the key properties of 4-(3-ethyl-2H-imidazol-1-yl)aniline?
4-(3-ethyl-2H-imidazol-1-yl)aniline has a molecular weight of 189.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2H-imidazol-1-yl)aniline is sourced from PubChem (CID 174696126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).