2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine

C14H12BrN3 — CID 43629943

IUPAC2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
SMILESCc1cc(Br)ccc1-c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C14H12BrN3/c1-8-6-9(15)2-4-11(8)14-17-12-5-3-10(16)7-13(12)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyZTMUQSIZXNKLKG-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.88
Rot. Bonds1

About 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine

2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine (PubChem CID 43629943) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
PubChem CID43629943
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
SMILESCc1cc(Br)ccc1-c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C14H12BrN3/c1-8-6-9(15)2-4-11(8)14-17-12-5-3-10(16)7-13(12)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyZTMUQSIZXNKLKG-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-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
[2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004404
2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
2-(5-bromo-2-iodophenyl)-3H-benzimidazol-5-amine
CID 114033353
4-(6-bromo-1H-benzimidazol-2-yl)-3-methoxyaniline
CID 107209077
2-(5-bromo-2-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83950843
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
CID 79802554
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
2-(2,5-dibromothiophen-3-yl)-3H-benzimidazol-5-amine
CID 107962399

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine (CID 43629943) is 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine is Cc1cc(Br)ccc1-c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine?
The InChIKey is ZTMUQSIZXNKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-8-6-9(15)2-4-11(8)14-17-12-5-3-10(16)7-13(12)18-14/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine?
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-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-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 43629943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).