2,4-dimethylbenzimidazole-2-carbaldehyde

C10H10N2O — CID 174843167

IUPAC2,4-dimethylbenzimidazole-2-carbaldehyde
SMILESCc1cccc2c1=NC(C)(C=O)N=2
InChIInChI=1S/C10H10N2O/c1-7-4-3-5-8-9(7)12-10(2,6-13)11-8/h3-6H,1-2H3
InChIKeyKMGWPPGRYLPYBF-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.16
Rot. Bonds1

About 2,4-dimethylbenzimidazole-2-carbaldehyde

2,4-dimethylbenzimidazole-2-carbaldehyde (PubChem CID 174843167) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,4-dimethylbenzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name2,4-dimethylbenzimidazole-2-carbaldehyde
PubChem CID174843167
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2,4-dimethylbenzimidazole-2-carbaldehyde
SMILESCc1cccc2c1=NC(C)(C=O)N=2
InChIInChI=1S/C10H10N2O/c1-7-4-3-5-8-9(7)12-10(2,6-13)11-8/h3-6H,1-2H3
InChIKeyKMGWPPGRYLPYBF-UHFFFAOYSA-N
XLogP0.16
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.16
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 2,4-dimethylbenzimidazole-2-carbaldehyde?
The IUPAC name of 2,4-dimethylbenzimidazole-2-carbaldehyde (CID 174843167) is 2,4-dimethylbenzimidazole-2-carbaldehyde.
What is the SMILES notation for 2,4-dimethylbenzimidazole-2-carbaldehyde?
The canonical SMILES for 2,4-dimethylbenzimidazole-2-carbaldehyde is Cc1cccc2c1=NC(C)(C=O)N=2.
What is the InChIKey of 2,4-dimethylbenzimidazole-2-carbaldehyde?
The InChIKey is KMGWPPGRYLPYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-4-3-5-8-9(7)12-10(2,6-13)11-8/h3-6H,1-2H3.
What are the key properties of 2,4-dimethylbenzimidazole-2-carbaldehyde?
2,4-dimethylbenzimidazole-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylbenzimidazole-2-carbaldehyde is sourced from PubChem (CID 174843167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).