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

C14H12BrN3 — CID 63112795

IUPAC2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
SMILESCc1ccc2nc(-c3cccc(Br)c3N)[nH]c2c1
InChIInChI=1S/C14H12BrN3/c1-8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3,(H,17,18)
InChIKeyGGLYFTPSFDUQNX-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.88
Rot. Bonds1

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

2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline (PubChem CID 63112795) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
PubChem CID63112795
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
SMILESCc1ccc2nc(-c3cccc(Br)c3N)[nH]c2c1
InChIInChI=1S/C14H12BrN3/c1-8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3,(H,17,18)
InChIKeyGGLYFTPSFDUQNX-UHFFFAOYSA-N
XLogP3.88
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline (CID 63112795) is 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline is Cc1ccc2nc(-c3cccc(Br)c3N)[nH]c2c1.
What is the InChIKey of 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is GGLYFTPSFDUQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-8-5-6-11-12(7-8)18-14(17-11)9-3-2-4-10(15)13(9)16/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline?
2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 302.18 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 63112795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).