5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde

C10H9BrN2O — CID 141383403

IUPAC5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
SMILESCc1cc2c(cc1Br)nc(C=O)n2C
InChIInChI=1S/C10H9BrN2O/c1-6-3-9-8(4-7(6)11)12-10(5-14)13(9)2/h3-5H,1-2H3
InChIKeyVRBUKHNHLDSIQJ-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.46
Rot. Bonds1

About 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde

5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde (PubChem CID 141383403) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
PubChem CID141383403
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
SMILESCc1cc2c(cc1Br)nc(C=O)n2C
InChIInChI=1S/C10H9BrN2O/c1-6-3-9-8(4-7(6)11)12-10(5-14)13(9)2/h3-5H,1-2H3
InChIKeyVRBUKHNHLDSIQJ-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde?
The IUPAC name of 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde (CID 141383403) is 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde.
What is the SMILES notation for 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde?
The canonical SMILES for 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde is Cc1cc2c(cc1Br)nc(C=O)n2C.
What is the InChIKey of 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde?
The InChIKey is VRBUKHNHLDSIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-3-9-8(4-7(6)11)12-10(5-14)13(9)2/h3-5H,1-2H3.
What are the key properties of 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde?
5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde has a molecular weight of 253.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde is sourced from PubChem (CID 141383403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).