2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde

C10H9BrN2O — CID 83900622

IUPAC2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde
SMILESCn1cnc2cc(Br)cc(CC=O)c21
InChIInChI=1S/C10H9BrN2O/c1-13-6-12-9-5-8(11)4-7(2-3-14)10(9)13/h3-6H,2H2,1H3
InChIKeyRWTGUAUQQRXKCL-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.08
Rot. Bonds2

About 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde

2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde (PubChem CID 83900622) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde
PubChem CID83900622
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde
SMILESCn1cnc2cc(Br)cc(CC=O)c21
InChIInChI=1S/C10H9BrN2O/c1-13-6-12-9-5-8(11)4-7(2-3-14)10(9)13/h3-6H,2H2,1H3
InChIKeyRWTGUAUQQRXKCL-UHFFFAOYSA-N
XLogP2.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.08
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 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde?
The IUPAC name of 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde (CID 83900622) is 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde is Cn1cnc2cc(Br)cc(CC=O)c21.
What is the InChIKey of 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde?
The InChIKey is RWTGUAUQQRXKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-13-6-12-9-5-8(11)4-7(2-3-14)10(9)13/h3-6H,2H2,1H3.
What are the key properties of 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde?
2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde has a molecular weight of 253.10 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-methylbenzimidazol-4-yl)acetaldehyde is sourced from PubChem (CID 83900622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).