4-bromo-1,6-dimethylbenzimidazol-5-amine

C9H10BrN3 — CID 155332352

IUPAC4-bromo-1,6-dimethylbenzimidazol-5-amine
SMILESCc1cc2c(ncn2C)c(Br)c1N
InChIInChI=1S/C9H10BrN3/c1-5-3-6-9(7(10)8(5)11)12-4-13(6)2/h3-4H,11H2,1-2H3
InChIKeyREWGJMYCVWQNKU-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.23
Rot. Bonds

About 4-bromo-1,6-dimethylbenzimidazol-5-amine

4-bromo-1,6-dimethylbenzimidazol-5-amine (PubChem CID 155332352) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 4-bromo-1,6-dimethylbenzimidazol-5-amine.

Molecular Properties

Compound Name4-bromo-1,6-dimethylbenzimidazol-5-amine
PubChem CID155332352
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name4-bromo-1,6-dimethylbenzimidazol-5-amine
SMILESCc1cc2c(ncn2C)c(Br)c1N
InChIInChI=1S/C9H10BrN3/c1-5-3-6-9(7(10)8(5)11)12-4-13(6)2/h3-4H,11H2,1-2H3
InChIKeyREWGJMYCVWQNKU-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,6-dimethylbenzimidazol-5-amine?
The IUPAC name of 4-bromo-1,6-dimethylbenzimidazol-5-amine (CID 155332352) is 4-bromo-1,6-dimethylbenzimidazol-5-amine.
What is the SMILES notation for 4-bromo-1,6-dimethylbenzimidazol-5-amine?
The canonical SMILES for 4-bromo-1,6-dimethylbenzimidazol-5-amine is Cc1cc2c(ncn2C)c(Br)c1N.
What is the InChIKey of 4-bromo-1,6-dimethylbenzimidazol-5-amine?
The InChIKey is REWGJMYCVWQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-5-3-6-9(7(10)8(5)11)12-4-13(6)2/h3-4H,11H2,1-2H3.
What are the key properties of 4-bromo-1,6-dimethylbenzimidazol-5-amine?
4-bromo-1,6-dimethylbenzimidazol-5-amine has a molecular weight of 240.10 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,6-dimethylbenzimidazol-5-amine is sourced from PubChem (CID 155332352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).