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

C10H9BrN2O — CID 84634849

IUPAC4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
SMILESCc1cc(Br)c2nc(C=O)n(C)c2c1
InChIInChI=1S/C10H9BrN2O/c1-6-3-7(11)10-8(4-6)13(2)9(5-14)12-10/h3-5H,1-2H3
InChIKeyTWZVHTFNORQIDT-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.46
Rot. Bonds1

About 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde

4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde (PubChem CID 84634849) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
PubChem CID84634849
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
SMILESCc1cc(Br)c2nc(C=O)n(C)c2c1
InChIInChI=1S/C10H9BrN2O/c1-6-3-7(11)10-8(4-6)13(2)9(5-14)12-10/h3-5H,1-2H3
InChIKeyTWZVHTFNORQIDT-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

5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 141383403
(4-bromo-1,6-dimethylbenzimidazol-2-yl)hydrazine
CID 84635551
(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
CID 84635115
2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642999
N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine
CID 84644324
6-chloro-1-methylbenzimidazole-2-carbaldehyde
CID 45078056
8-bromo-6-methylquinoline-3-carbaldehyde
CID 130067119
(E)-3-(4-bromo-1-ethyl-6-methylbenzimidazol-2-yl)prop-2-enoic acid
CID 84645158
6-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83900678
4-bromo-1,6-dimethylbenzimidazole
CID 68775248
4-methoxy-1-methylbenzimidazole-2-carbaldehyde
CID 82404130
7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde
CID 84621199

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde?
The IUPAC name of 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde (CID 84634849) is 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde.
What is the SMILES notation for 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde?
The canonical SMILES for 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde is Cc1cc(Br)c2nc(C=O)n(C)c2c1.
What is the InChIKey of 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde?
The InChIKey is TWZVHTFNORQIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-3-7(11)10-8(4-6)13(2)9(5-14)12-10/h3-5H,1-2H3.
What are the key properties of 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde?
4-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 4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde is sourced from PubChem (CID 84634849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).