N-(Benzimidazol-2-yl)-3-chloroaniline

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Basic information

CAS: 56721-64-3
Standard SMILES: Clc1cccc(Nc2nc3ccccc3[nH]2)c1
InChIKey: XSAWUTHHNIJKRI-UHFFFAOYSA-N
Molecular formula: C13H10ClN3
Average molar mass: 243.69 g/mol
Monoisotopic mass: 243.056325

Names & identifiers

Preferred name: N-(Benzimidazol-2-yl)-3-chloroaniline
IUPAC: N-(3-chlorophenyl)-1H-benzimidazol-2-amine

Names & synonyms

N-(Benzimidazol-2-yl)-3-chloroaniline56721-64-31H-Benzimidazol-2-amine, N-(3-chlorophenyl)-SCHEMBL1999901DTXSID40358911XSAWUTHHNIJKRI-UHFFFAOYSA-NAKOS002793077DB-298503N-(3-Chlorophenyl)-1H-1,3-benzimidazol-2-amine

Database identifiers

CAS: 56721-64-3
PubChem CID: 923992
DTXSID: DTXSID40358911
Nikkaji: J2.674.027D

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 40.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 261

Related reactions

2 records

New reaction record

HRID 684142As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2423032As productuspto-grants-2011_06

Compound notes

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