6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine

C13H8Br2FN3 — CID 107953916

IUPAC6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine
SMILESNc1cc(Br)cc2[nH]c(-c3ccc(F)c(Br)c3)nc12
InChIInChI=1S/C13H8Br2FN3/c14-7-4-10(17)12-11(5-7)18-13(19-12)6-1-2-9(16)8(15)3-6/h1-5H,17H2,(H,18,19)
InChIKeyKENTXSWNUDHMNY-UHFFFAOYSA-N
MW385.03 g/mol
LogP4.48
Rot. Bonds1

About 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine

6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine (PubChem CID 107953916) has the molecular formula C13H8Br2FN3 and a molecular weight of 385.03 g/mol. Its IUPAC name is 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine
PubChem CID107953916
Molecular FormulaC13H8Br2FN3
Molecular Weight385.03 g/mol
Exact Mass382.91
IUPAC Name6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine
SMILESNc1cc(Br)cc2[nH]c(-c3ccc(F)c(Br)c3)nc12
InChIInChI=1S/C13H8Br2FN3/c14-7-4-10(17)12-11(5-7)18-13(19-12)6-1-2-9(16)8(15)3-6/h1-5H,17H2,(H,18,19)
InChIKeyKENTXSWNUDHMNY-UHFFFAOYSA-N
XLogP4.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.03
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
CID 107812850
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine
CID 107962405
2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113340205
2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
CID 112556664
2-(3-bromo-4-chlorophenyl)-1H-benzimidazol-4-amine
CID 114024566
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505
6-bromo-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazol-4-amine
CID 114909040
2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
CID 107954664
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine?
The IUPAC name of 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine (CID 107953916) is 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine is Nc1cc(Br)cc2[nH]c(-c3ccc(F)c(Br)c3)nc12.
What is the InChIKey of 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine?
The InChIKey is KENTXSWNUDHMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2FN3/c14-7-4-10(17)12-11(5-7)18-13(19-12)6-1-2-9(16)8(15)3-6/h1-5H,17H2,(H,18,19).
What are the key properties of 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine?
6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine has a molecular weight of 385.03 g/mol, XLogP of 4.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 107953916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).