5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde

C9H7BrN2O — CID 131048969

IUPAC5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde
SMILESCc1cc2[nH]c(C=O)nc2cc1Br
InChIInChI=1S/C9H7BrN2O/c1-5-2-7-8(3-6(5)10)12-9(4-13)11-7/h2-4H,1H3,(H,11,12)
InChIKeyHIQPHRCOPBINCZ-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.45
Rot. Bonds1

About 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde

5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde (PubChem CID 131048969) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde
PubChem CID131048969
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde
SMILESCc1cc2[nH]c(C=O)nc2cc1Br
InChIInChI=1S/C9H7BrN2O/c1-5-2-7-8(3-6(5)10)12-9(4-13)11-7/h2-4H,1H3,(H,11,12)
InChIKeyHIQPHRCOPBINCZ-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874508
methyl 5-bromo-6-methyl-1H-benzimidazole-2-carboxylate
CID 131099091
7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874547
1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole-2-carbaldehyde
CID 63771989
1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde
CID 162810002
5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 141383403
2-formyl-3H-benzimidazole-5-carbonitrile
CID 72942417
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303
1H-thieno[3,4-d]imidazole-2-carbaldehyde
CID 45083740
5-[4-(benzenesulfinyl)butanoyl]-6-methyl-1H-benzimidazole-2-carbaldehyde
CID 20546793
2-formyl-3H-benzimidazole-5-carbonyl chloride
CID 130881700
6-bromo-3,5-dimethyl-2H-indazole;ethane
CID 178017805

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde?
The IUPAC name of 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde (CID 131048969) is 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde.
What is the SMILES notation for 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde?
The canonical SMILES for 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde is Cc1cc2[nH]c(C=O)nc2cc1Br.
What is the InChIKey of 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde?
The InChIKey is HIQPHRCOPBINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5-2-7-8(3-6(5)10)12-9(4-13)11-7/h2-4H,1H3,(H,11,12).
What are the key properties of 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde?
5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde has a molecular weight of 239.07 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde is sourced from PubChem (CID 131048969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).