2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline

C15H13Br2N3 — CID 63495096

IUPAC2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2nc(-c3cc(Br)cc(Br)c3N)[nH]c2cc1C
InChIInChI=1S/C15H13Br2N3/c1-7-3-12-13(4-8(7)2)20-15(19-12)10-5-9(16)6-11(17)14(10)18/h3-6H,18H2,1-2H3,(H,19,20)
InChIKeyJUWLXZSJMWNLSV-UHFFFAOYSA-N
MW395.10 g/mol
LogP4.95
Rot. Bonds1

About 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline

2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline (PubChem CID 63495096) has the molecular formula C15H13Br2N3 and a molecular weight of 395.10 g/mol. Its IUPAC name is 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
PubChem CID63495096
Molecular FormulaC15H13Br2N3
Molecular Weight395.10 g/mol
Exact Mass392.95
IUPAC Name2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2nc(-c3cc(Br)cc(Br)c3N)[nH]c2cc1C
InChIInChI=1S/C15H13Br2N3/c1-7-3-12-13(4-8(7)2)20-15(19-12)10-5-9(16)6-11(17)14(10)18/h3-6H,18H2,1-2H3,(H,19,20)
InChIKeyJUWLXZSJMWNLSV-UHFFFAOYSA-N
XLogP4.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.10
LogP ≤ 54.95
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

2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2,4-dibromo-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 63111859
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915474
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
CID 55061195
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 79630922
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methoxyaniline
CID 115411342

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline (CID 63495096) is 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline is Cc1cc2nc(-c3cc(Br)cc(Br)c3N)[nH]c2cc1C.
What is the InChIKey of 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is JUWLXZSJMWNLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3/c1-7-3-12-13(4-8(7)2)20-15(19-12)10-5-9(16)6-11(17)14(10)18/h3-6H,18H2,1-2H3,(H,19,20).
What are the key properties of 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 395.10 g/mol, XLogP of 4.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 63495096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).