1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde

C10H10N2O2 — CID 605450

IUPAC1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde
SMILESCn1c(=O)n(C)c2cc(C=O)ccc21
InChIInChI=1S/C10H10N2O2/c1-11-8-4-3-7(6-13)5-9(8)12(2)10(11)14/h3-6H,1-2H3
InChIKeyPFRNWHRHGONGPG-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.69
Rot. Bonds1

About 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde

1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde (PubChem CID 605450) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde
PubChem CID605450
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde
SMILESCn1c(=O)n(C)c2cc(C=O)ccc21
InChIInChI=1S/C10H10N2O2/c1-11-8-4-3-7(6-13)5-9(8)12(2)10(11)14/h3-6H,1-2H3
InChIKeyPFRNWHRHGONGPG-UHFFFAOYSA-N
XLogP0.69
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde?
The IUPAC name of 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde (CID 605450) is 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde is Cn1c(=O)n(C)c2cc(C=O)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde?
The InChIKey is PFRNWHRHGONGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-11-8-4-3-7(6-13)5-9(8)12(2)10(11)14/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde?
1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxobenzimidazole-5-carbaldehyde is sourced from PubChem (CID 605450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).