4-(2-methylimidazol-1-yl)aniline

C10H11N3 — CID 3157478

IUPAC4-(2-methylimidazol-1-yl)aniline
SMILESCc1nccn1-c1ccc(N)cc1
InChIInChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3
InChIKeyIEZCMVRWKNEHJB-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.76
Rot. Bonds1

About 4-(2-methylimidazol-1-yl)aniline

4-(2-methylimidazol-1-yl)aniline (PubChem CID 3157478) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)aniline.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)aniline
PubChem CID3157478
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-(2-methylimidazol-1-yl)aniline
SMILESCc1nccn1-c1ccc(N)cc1
InChIInChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3
InChIKeyIEZCMVRWKNEHJB-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.76
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-(2-methylimidazol-1-yl)aniline?
The IUPAC name of 4-(2-methylimidazol-1-yl)aniline (CID 3157478) is 4-(2-methylimidazol-1-yl)aniline.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)aniline?
The canonical SMILES for 4-(2-methylimidazol-1-yl)aniline is Cc1nccn1-c1ccc(N)cc1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)aniline?
The InChIKey is IEZCMVRWKNEHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3.
What are the key properties of 4-(2-methylimidazol-1-yl)aniline?
4-(2-methylimidazol-1-yl)aniline has a molecular weight of 173.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)aniline is sourced from PubChem (CID 3157478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).