1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine

C13H8Br3N3 — CID 150671167

IUPAC1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine
SMILESBrc1ccc(Nc2nc3ccccc3n2Br)c(Br)c1
InChIInChI=1S/C13H8Br3N3/c14-8-5-6-10(9(15)7-8)17-13-18-11-3-1-2-4-12(11)19(13)16/h1-7H,(H,17,18)
InChIKeyJFXGINKIDTVFMX-UHFFFAOYSA-N
MW445.94 g/mol
LogP5.46
Rot. Bonds2

About 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine

1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine (PubChem CID 150671167) has the molecular formula C13H8Br3N3 and a molecular weight of 445.94 g/mol. Its IUPAC name is 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine
PubChem CID150671167
Molecular FormulaC13H8Br3N3
Molecular Weight445.94 g/mol
Exact Mass442.83
IUPAC Name1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine
SMILESBrc1ccc(Nc2nc3ccccc3n2Br)c(Br)c1
InChIInChI=1S/C13H8Br3N3/c14-8-5-6-10(9(15)7-8)17-13-18-11-3-1-2-4-12(11)19(13)16/h1-7H,(H,17,18)
InChIKeyJFXGINKIDTVFMX-UHFFFAOYSA-N
XLogP5.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.94
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-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

N-(2,4-dibromophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4320150
2,6-dibromo-N-(2,4-dibromophenyl)aniline
CID 101290135
6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
CID 80801057
N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61477483
[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine
CID 45276595
6-bromo-N,1-dimethylbenzimidazol-2-amine
CID 84629605
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
3-[4-bromo-2-(methylamino)phenyl]-1-methylquinoxalin-2-one
CID 23821378
3-bromopyrido[1,2-a]benzimidazole
CID 132596716
4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041058
2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
CID 119027105
4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline
CID 61020055

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine?
The IUPAC name of 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine (CID 150671167) is 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine.
What is the SMILES notation for 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine?
The canonical SMILES for 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine is Brc1ccc(Nc2nc3ccccc3n2Br)c(Br)c1.
What is the InChIKey of 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine?
The InChIKey is JFXGINKIDTVFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3N3/c14-8-5-6-10(9(15)7-8)17-13-18-11-3-1-2-4-12(11)19(13)16/h1-7H,(H,17,18).
What are the key properties of 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine?
1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine has a molecular weight of 445.94 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,4-dibromophenyl)benzimidazol-2-amine is sourced from PubChem (CID 150671167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).