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

C11H13N3 — CID 55268227

IUPAC2-ethyl-4-(1H-imidazol-2-yl)aniline
SMILESCCc1cc(-c2ncc[nH]2)ccc1N
InChIInChI=1S/C11H13N3/c1-2-8-7-9(3-4-10(8)12)11-13-5-6-14-11/h3-7H,2,12H2,1H3,(H,13,14)
InChIKeyKAGQJFMBCXAYPO-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.22
Rot. Bonds2

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

2-ethyl-4-(1H-imidazol-2-yl)aniline (PubChem CID 55268227) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-ethyl-4-(1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(1H-imidazol-2-yl)aniline
PubChem CID55268227
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-ethyl-4-(1H-imidazol-2-yl)aniline
SMILESCCc1cc(-c2ncc[nH]2)ccc1N
InChIInChI=1S/C11H13N3/c1-2-8-7-9(3-4-10(8)12)11-13-5-6-14-11/h3-7H,2,12H2,1H3,(H,13,14)
InChIKeyKAGQJFMBCXAYPO-UHFFFAOYSA-N
XLogP2.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1H-imidazol-2-yl)aniline?
The IUPAC name of 2-ethyl-4-(1H-imidazol-2-yl)aniline (CID 55268227) is 2-ethyl-4-(1H-imidazol-2-yl)aniline.
What is the SMILES notation for 2-ethyl-4-(1H-imidazol-2-yl)aniline?
The canonical SMILES for 2-ethyl-4-(1H-imidazol-2-yl)aniline is CCc1cc(-c2ncc[nH]2)ccc1N.
What is the InChIKey of 2-ethyl-4-(1H-imidazol-2-yl)aniline?
The InChIKey is KAGQJFMBCXAYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-8-7-9(3-4-10(8)12)11-13-5-6-14-11/h3-7H,2,12H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-4-(1H-imidazol-2-yl)aniline?
2-ethyl-4-(1H-imidazol-2-yl)aniline has a molecular weight of 187.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1H-imidazol-2-yl)aniline is sourced from PubChem (CID 55268227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).