2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine

C14H12BrN3 — CID 107982657

IUPAC2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
SMILESCc1cccc(-c2nc3c(N)cccc3[nH]2)c1Br
InChIInChI=1S/C14H12BrN3/c1-8-4-2-5-9(12(8)15)14-17-11-7-3-6-10(16)13(11)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyNNEBZLFHYGTAOY-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.88
Rot. Bonds1

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

2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine (PubChem CID 107982657) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
PubChem CID107982657
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
SMILESCc1cccc(-c2nc3c(N)cccc3[nH]2)c1Br
InChIInChI=1S/C14H12BrN3/c1-8-4-2-5-9(12(8)15)14-17-11-7-3-6-10(16)13(11)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyNNEBZLFHYGTAOY-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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Related Compounds

2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
CID 107983005
2-(2-bromo-3-methylphenyl)-6-chloro-1H-benzimidazol-4-amine
CID 107982658
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(4-bromo-2-chlorophenyl)-1H-benzimidazol-4-amine
CID 63695445
2-(3-chloro-2-fluorophenyl)-1H-benzimidazol-4-amine
CID 81267619
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
2-(3-methylphenyl)-1H-benzimidazol-4-amine
CID 63691360
2-(5-methylfuran-2-yl)-1H-benzimidazol-4-amine
CID 63695093
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(4-chloro-2-methoxyphenyl)-1H-benzimidazol-4-amine
CID 63693175
2-(3-chloro-5-methylphenyl)-1H-benzimidazol-4-amine
CID 81323414

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine (CID 107982657) is 2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine is Cc1cccc(-c2nc3c(N)cccc3[nH]2)c1Br.
What is the InChIKey of 2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine?
The InChIKey is NNEBZLFHYGTAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-8-4-2-5-9(12(8)15)14-17-11-7-3-6-10(16)13(11)18-14/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine?
2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine 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-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 107982657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).