2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde

C15H11FN2O — CID 59474411

IUPAC2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
SMILESCn1cnc2cc(-c3ccc(C=O)c(F)c3)ccc21
InChIInChI=1S/C15H11FN2O/c1-18-9-17-14-7-11(4-5-15(14)18)10-2-3-12(8-19)13(16)6-10/h2-9H,1H3
InChIKeyPNUICRCIFSCYMQ-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.19
Rot. Bonds2

About 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde

2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde (PubChem CID 59474411) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
PubChem CID59474411
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
SMILESCn1cnc2cc(-c3ccc(C=O)c(F)c3)ccc21
InChIInChI=1S/C15H11FN2O/c1-18-9-17-14-7-11(4-5-15(14)18)10-2-3-12(8-19)13(16)6-10/h2-9H,1H3
InChIKeyPNUICRCIFSCYMQ-UHFFFAOYSA-N
XLogP3.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.19
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-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde (CID 59474411) is 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde is Cn1cnc2cc(-c3ccc(C=O)c(F)c3)ccc21.
What is the InChIKey of 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde?
The InChIKey is PNUICRCIFSCYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-18-9-17-14-7-11(4-5-15(14)18)10-2-3-12(8-19)13(16)6-10/h2-9H,1H3.
What are the key properties of 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde?
2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde has a molecular weight of 254.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde is sourced from PubChem (CID 59474411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).