6-chloro-3-methylbenzimidazole-4-carbaldehyde

C9H7ClN2O — CID 83879166

IUPAC6-chloro-3-methylbenzimidazole-4-carbaldehyde
SMILESCn1cnc2cc(Cl)cc(C=O)c21
InChIInChI=1S/C9H7ClN2O/c1-12-5-11-8-3-7(10)2-6(4-13)9(8)12/h2-5H,1H3
InChIKeyHVBJGSKDAXEBFW-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.04
Rot. Bonds1

About 6-chloro-3-methylbenzimidazole-4-carbaldehyde

6-chloro-3-methylbenzimidazole-4-carbaldehyde (PubChem CID 83879166) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 6-chloro-3-methylbenzimidazole-4-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-methylbenzimidazole-4-carbaldehyde
PubChem CID83879166
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name6-chloro-3-methylbenzimidazole-4-carbaldehyde
SMILESCn1cnc2cc(Cl)cc(C=O)c21
InChIInChI=1S/C9H7ClN2O/c1-12-5-11-8-3-7(10)2-6(4-13)9(8)12/h2-5H,1H3
InChIKeyHVBJGSKDAXEBFW-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.04
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 6-chloro-3-methylbenzimidazole-4-carbaldehyde?
The IUPAC name of 6-chloro-3-methylbenzimidazole-4-carbaldehyde (CID 83879166) is 6-chloro-3-methylbenzimidazole-4-carbaldehyde.
What is the SMILES notation for 6-chloro-3-methylbenzimidazole-4-carbaldehyde?
The canonical SMILES for 6-chloro-3-methylbenzimidazole-4-carbaldehyde is Cn1cnc2cc(Cl)cc(C=O)c21.
What is the InChIKey of 6-chloro-3-methylbenzimidazole-4-carbaldehyde?
The InChIKey is HVBJGSKDAXEBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-12-5-11-8-3-7(10)2-6(4-13)9(8)12/h2-5H,1H3.
What are the key properties of 6-chloro-3-methylbenzimidazole-4-carbaldehyde?
6-chloro-3-methylbenzimidazole-4-carbaldehyde has a molecular weight of 194.62 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylbenzimidazole-4-carbaldehyde is sourced from PubChem (CID 83879166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).