6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde

C10H9BrN2O — CID 83900678

IUPAC6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde
SMILESCc1nc2cc(Br)c(C=O)cc2n1C
InChIInChI=1S/C10H9BrN2O/c1-6-12-9-4-8(11)7(5-14)3-10(9)13(6)2/h3-5H,1-2H3
InChIKeyFZAOVRWLFOXGQZ-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.46
Rot. Bonds1

About 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde

6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde (PubChem CID 83900678) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde
PubChem CID83900678
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde
SMILESCc1nc2cc(Br)c(C=O)cc2n1C
InChIInChI=1S/C10H9BrN2O/c1-6-12-9-4-8(11)7(5-14)3-10(9)13(6)2/h3-5H,1-2H3
InChIKeyFZAOVRWLFOXGQZ-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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Related Compounds

6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83884178
1-(6-bromo-2,3-dimethylbenzimidazol-5-yl)ethanone
CID 83902590
5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 141383403
6-bromo-1,2-dimethylbenzimidazole
CID 58109509
6-bromo-3-methyl-2-oxo-1H-benzimidazole-5-carbaldehyde
CID 83901004
4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 84634849
6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
ethane;2,3,6-trimethylbenzimidazol-5-ol
CID 168977189
5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
3,7,10-trimethyl-2,4-dioxobenzo[g]pteridine-8-carbaldehyde
CID 165342378

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde?
The IUPAC name of 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde (CID 83900678) is 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde.
What is the SMILES notation for 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde?
The canonical SMILES for 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde is Cc1nc2cc(Br)c(C=O)cc2n1C.
What is the InChIKey of 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde?
The InChIKey is FZAOVRWLFOXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-12-9-4-8(11)7(5-14)3-10(9)13(6)2/h3-5H,1-2H3.
What are the key properties of 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde?
6-bromo-2,3-dimethylbenzimidazole-5-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 6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde is sourced from PubChem (CID 83900678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).