1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde

C15H10ClFN2O — CID 53262926

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H10ClFN2O/c16-11-4-3-5-12(17)10(11)8-19-14-7-2-1-6-13(14)18-15(19)9-20/h1-7,9H,8H2
InChIKeyQHCNAPKIFBSFQE-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.69
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde

1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde (PubChem CID 53262926) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
PubChem CID53262926
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H10ClFN2O/c16-11-4-3-5-12(17)10(11)8-19-14-7-2-1-6-13(14)18-15(19)9-20/h1-7,9H,8H2
InChIKeyQHCNAPKIFBSFQE-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.69
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

1-[(2-chloro-6-fluorophenyl)methyl]-2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazole
CID 16999772
1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262927
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2989675
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354
1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71649802
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
1-[(2-chloro-6-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885542

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde (CID 53262926) is 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde is O=Cc1nc2ccccc2n1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde?
The InChIKey is QHCNAPKIFBSFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-11-4-3-5-12(17)10(11)8-19-14-7-2-1-6-13(14)18-15(19)9-20/h1-7,9H,8H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde?
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde has a molecular weight of 288.71 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde is sourced from PubChem (CID 53262926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).