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

C15H11FN2O — CID 53262927

IUPAC1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C15H11FN2O/c16-12-6-2-1-5-11(12)9-18-14-8-4-3-7-13(14)17-15(18)10-19/h1-8,10H,9H2
InChIKeyKHKIOUVMDGJKGI-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.04
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde (PubChem CID 53262927) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
PubChem CID53262927
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C15H11FN2O/c16-12-6-2-1-5-11(12)9-18-14-8-4-3-7-13(14)17-15(18)10-19/h1-8,10H,9H2
InChIKeyKHKIOUVMDGJKGI-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.04
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]benzimidazole-2-carbaldehyde
CID 53262926
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
(Z)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 166606602
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 43814509
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007755
1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
CID 18877735
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878085

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde?
The IUPAC name of 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde (CID 53262927) is 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde is O=Cc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde?
The InChIKey is KHKIOUVMDGJKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-6-2-1-5-11(12)9-18-14-8-4-3-7-13(14)17-15(18)10-19/h1-8,10H,9H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde?
1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde has a molecular weight of 254.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde is sourced from PubChem (CID 53262927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).