1-ethyl-5-fluorobenzimidazole-2-carbaldehyde

C10H9FN2O — CID 21286292

IUPAC1-ethyl-5-fluorobenzimidazole-2-carbaldehyde
SMILESCCn1c(C=O)nc2cc(F)ccc21
InChIInChI=1S/C10H9FN2O/c1-2-13-9-4-3-7(11)5-8(9)12-10(13)6-14/h3-6H,2H2,1H3
InChIKeyOKLQVRNJDJBKIX-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.01
Rot. Bonds2

About 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde

1-ethyl-5-fluorobenzimidazole-2-carbaldehyde (PubChem CID 21286292) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-5-fluorobenzimidazole-2-carbaldehyde
PubChem CID21286292
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-ethyl-5-fluorobenzimidazole-2-carbaldehyde
SMILESCCn1c(C=O)nc2cc(F)ccc21
InChIInChI=1S/C10H9FN2O/c1-2-13-9-4-3-7(11)5-8(9)12-10(13)6-14/h3-6H,2H2,1H3
InChIKeyOKLQVRNJDJBKIX-UHFFFAOYSA-N
XLogP2.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.01
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 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde?
The IUPAC name of 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde (CID 21286292) is 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde.
What is the SMILES notation for 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde?
The canonical SMILES for 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde is CCn1c(C=O)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde?
The InChIKey is OKLQVRNJDJBKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-13-9-4-3-7(11)5-8(9)12-10(13)6-14/h3-6H,2H2,1H3.
What are the key properties of 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde?
1-ethyl-5-fluorobenzimidazole-2-carbaldehyde has a molecular weight of 192.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluorobenzimidazole-2-carbaldehyde is sourced from PubChem (CID 21286292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).