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

C10H9ClN2O — CID 83884178

IUPAC6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
SMILESCc1nc2cc(Cl)c(C=O)cc2n1C
InChIInChI=1S/C10H9ClN2O/c1-6-12-9-4-8(11)7(5-14)3-10(9)13(6)2/h3-5H,1-2H3
InChIKeyCGIFREBXFQIWDM-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.35
Rot. Bonds1

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

6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde (PubChem CID 83884178) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
PubChem CID83884178
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
SMILESCc1nc2cc(Cl)c(C=O)cc2n1C
InChIInChI=1S/C10H9ClN2O/c1-6-12-9-4-8(11)7(5-14)3-10(9)13(6)2/h3-5H,1-2H3
InChIKeyCGIFREBXFQIWDM-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.35
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-bromo-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83900678
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
CID 171820077
6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
CID 21329570
1-(6-chloro-1,2-dimethylbenzimidazol-5-yl)ethanone
CID 83890942
6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
5-chloro-2-methylindazole-6-carbaldehyde
CID 117110225
6-chloro-1,3-dimethylindazole-5-carbaldehyde
CID 117109823
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482
6-bromo-1,2-dimethylbenzimidazole
CID 58109509
6-chloro-1-methylbenzimidazole-2-carbaldehyde
CID 45078056
6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
CID 10081355
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde?
The IUPAC name of 6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde (CID 83884178) is 6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde.
What is the SMILES notation for 6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde?
The canonical SMILES for 6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde is Cc1nc2cc(Cl)c(C=O)cc2n1C.
What is the InChIKey of 6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde?
The InChIKey is CGIFREBXFQIWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/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-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde?
6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde has a molecular weight of 208.65 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde is sourced from PubChem (CID 83884178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).