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

C9H7ClN2O — CID 10081355

IUPAC6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
SMILESCc1nc2cc(C=O)c(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClN2O/c1-5-11-8-2-6(4-13)7(10)3-9(8)12-5/h2-4H,1H3,(H,11,12)
InChIKeySXFHCDAPJAWIQI-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.34
Rot. Bonds1

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

6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde (PubChem CID 10081355) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
PubChem CID10081355
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
SMILESCc1nc2cc(C=O)c(Cl)cc2[nH]1
InChIInChI=1S/C9H7ClN2O/c1-5-11-8-2-6(4-13)7(10)3-9(8)12-5/h2-4H,1H3,(H,11,12)
InChIKeySXFHCDAPJAWIQI-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde?
The IUPAC name of 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde (CID 10081355) is 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde.
What is the SMILES notation for 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde?
The canonical SMILES for 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde is Cc1nc2cc(C=O)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde?
The InChIKey is SXFHCDAPJAWIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-11-8-2-6(4-13)7(10)3-9(8)12-5/h2-4H,1H3,(H,11,12).
What are the key properties of 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde?
6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde has a molecular weight of 194.62 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde is sourced from PubChem (CID 10081355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).