2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline

C14H11Br2N3 — CID 107812850

IUPAC2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc(Br)cc2[nH]c(-c3ccc(Br)c(N)c3)nc12
InChIInChI=1S/C14H11Br2N3/c1-7-4-9(15)6-12-13(7)19-14(18-12)8-2-3-10(16)11(17)5-8/h2-6H,17H2,1H3,(H,18,19)
InChIKeyZQVMRSJPJAUIMB-UHFFFAOYSA-N
MW381.07 g/mol
LogP4.65
Rot. Bonds1

About 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline

2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline (PubChem CID 107812850) has the molecular formula C14H11Br2N3 and a molecular weight of 381.07 g/mol. Its IUPAC name is 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
PubChem CID107812850
Molecular FormulaC14H11Br2N3
Molecular Weight381.07 g/mol
Exact Mass378.93
IUPAC Name2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc(Br)cc2[nH]c(-c3ccc(Br)c(N)c3)nc12
InChIInChI=1S/C14H11Br2N3/c1-7-4-9(15)6-12-13(7)19-14(18-12)8-2-3-10(16)11(17)5-8/h2-6H,17H2,1H3,(H,18,19)
InChIKeyZQVMRSJPJAUIMB-UHFFFAOYSA-N
XLogP4.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.07
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
6-bromo-2-(3-bromo-5-chlorophenyl)-4-methyl-1H-benzimidazole
CID 107939548
6-bromo-2-(3-bromo-4-fluorophenyl)-1H-benzimidazol-4-amine
CID 107953916
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
2-bromo-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 114003900
3-bromo-5-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947637
6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574371

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline (CID 107812850) is 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline is Cc1cc(Br)cc2[nH]c(-c3ccc(Br)c(N)c3)nc12.
What is the InChIKey of 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is ZQVMRSJPJAUIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3/c1-7-4-9(15)6-12-13(7)19-14(18-12)8-2-3-10(16)11(17)5-8/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline?
2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 381.07 g/mol, XLogP of 4.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 107812850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).