4-(4-bromoimidazol-1-yl)-2-chloroaniline

C9H7BrClN3 — CID 155581370

IUPAC4-(4-bromoimidazol-1-yl)-2-chloroaniline
SMILESNc1ccc(-n2cnc(Br)c2)cc1Cl
InChIInChI=1S/C9H7BrClN3/c10-9-4-14(5-13-9)6-1-2-8(12)7(11)3-6/h1-5H,12H2
InChIKeyRAZJOXDIRHHNME-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.87
Rot. Bonds1

About 4-(4-bromoimidazol-1-yl)-2-chloroaniline

4-(4-bromoimidazol-1-yl)-2-chloroaniline (PubChem CID 155581370) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 4-(4-bromoimidazol-1-yl)-2-chloroaniline.

Molecular Properties

Compound Name4-(4-bromoimidazol-1-yl)-2-chloroaniline
PubChem CID155581370
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name4-(4-bromoimidazol-1-yl)-2-chloroaniline
SMILESNc1ccc(-n2cnc(Br)c2)cc1Cl
InChIInChI=1S/C9H7BrClN3/c10-9-4-14(5-13-9)6-1-2-8(12)7(11)3-6/h1-5H,12H2
InChIKeyRAZJOXDIRHHNME-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.87
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-(4-bromoimidazol-1-yl)-2-chloroaniline?
The IUPAC name of 4-(4-bromoimidazol-1-yl)-2-chloroaniline (CID 155581370) is 4-(4-bromoimidazol-1-yl)-2-chloroaniline.
What is the SMILES notation for 4-(4-bromoimidazol-1-yl)-2-chloroaniline?
The canonical SMILES for 4-(4-bromoimidazol-1-yl)-2-chloroaniline is Nc1ccc(-n2cnc(Br)c2)cc1Cl.
What is the InChIKey of 4-(4-bromoimidazol-1-yl)-2-chloroaniline?
The InChIKey is RAZJOXDIRHHNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-9-4-14(5-13-9)6-1-2-8(12)7(11)3-6/h1-5H,12H2.
What are the key properties of 4-(4-bromoimidazol-1-yl)-2-chloroaniline?
4-(4-bromoimidazol-1-yl)-2-chloroaniline has a molecular weight of 272.53 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromoimidazol-1-yl)-2-chloroaniline is sourced from PubChem (CID 155581370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).