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

C10H10BrN3 — CID 65342749

IUPAC4-bromo-2-(2-methylimidazol-1-yl)aniline
SMILESCc1nccn1-c1cc(Br)ccc1N
InChIInChI=1S/C10H10BrN3/c1-7-13-4-5-14(7)10-6-8(11)2-3-9(10)12/h2-6H,12H2,1H3
InChIKeyKNTLVTRNSMHJAZ-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.53
Rot. Bonds1

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

4-bromo-2-(2-methylimidazol-1-yl)aniline (PubChem CID 65342749) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 4-bromo-2-(2-methylimidazol-1-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-(2-methylimidazol-1-yl)aniline
PubChem CID65342749
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name4-bromo-2-(2-methylimidazol-1-yl)aniline
SMILESCc1nccn1-c1cc(Br)ccc1N
InChIInChI=1S/C10H10BrN3/c1-7-13-4-5-14(7)10-6-8(11)2-3-9(10)12/h2-6H,12H2,1H3
InChIKeyKNTLVTRNSMHJAZ-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylimidazol-1-yl)aniline?
The IUPAC name of 4-bromo-2-(2-methylimidazol-1-yl)aniline (CID 65342749) is 4-bromo-2-(2-methylimidazol-1-yl)aniline.
What is the SMILES notation for 4-bromo-2-(2-methylimidazol-1-yl)aniline?
The canonical SMILES for 4-bromo-2-(2-methylimidazol-1-yl)aniline is Cc1nccn1-c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(2-methylimidazol-1-yl)aniline?
The InChIKey is KNTLVTRNSMHJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-13-4-5-14(7)10-6-8(11)2-3-9(10)12/h2-6H,12H2,1H3.
What are the key properties of 4-bromo-2-(2-methylimidazol-1-yl)aniline?
4-bromo-2-(2-methylimidazol-1-yl)aniline has a molecular weight of 252.12 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylimidazol-1-yl)aniline is sourced from PubChem (CID 65342749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).