6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide

C13H10BrClFN3 — CID 67386797

IUPAC6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide
SMILESBr.Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1
InChIInChI=1S/C13H9ClFN3.BrH/c14-9-3-8(4-10(15)6-9)7-1-2-11-12(5-7)18-13(16)17-11;/h1-6H,(H3,16,17,18);1H
InChIKeyUEXZQJMNPFHOPE-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.18
Rot. Bonds1

About 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide

6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide (PubChem CID 67386797) has the molecular formula C13H10BrClFN3 and a molecular weight of 342.60 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide
PubChem CID67386797
Molecular FormulaC13H10BrClFN3
Molecular Weight342.60 g/mol
Exact Mass340.97
IUPAC Name6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide
SMILESBr.Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1
InChIInChI=1S/C13H9ClFN3.BrH/c14-9-3-8(4-10(15)6-9)7-1-2-11-12(5-7)18-13(16)17-11;/h1-6H,(H3,16,17,18);1H
InChIKeyUEXZQJMNPFHOPE-UHFFFAOYSA-N
XLogP4.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol
CID 97454007
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
CID 141279216
5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87073863
2-chloro-4-(3-chloro-5-fluorophenyl)aniline
CID 107607732
6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67290201
4-(3-chloro-5-fluorophenyl)-2-methylaniline
CID 115504609
6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine
CID 118184961
6-iodo-1H-benzimidazol-2-amine
CID 60835496
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-(dimethylamino)-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 67289032
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-6-fluoro-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 67291129
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 67291402
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]-8-ethoxy-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 67290065

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide?
The IUPAC name of 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide (CID 67386797) is 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide.
What is the SMILES notation for 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide?
The canonical SMILES for 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide is Br.Nc1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1.
What is the InChIKey of 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide?
The InChIKey is UEXZQJMNPFHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3.BrH/c14-9-3-8(4-10(15)6-9)7-1-2-11-12(5-7)18-13(16)17-11;/h1-6H,(H3,16,17,18);1H.
What are the key properties of 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide?
6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide has a molecular weight of 342.60 g/mol, XLogP of 4.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide is sourced from PubChem (CID 67386797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).