1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole

C20H14ClFN2 — CID 19243208

IUPAC1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
SMILESFc1ccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H14ClFN2/c21-16-5-3-4-14(12-16)13-24-19-7-2-1-6-18(19)23-20(24)15-8-10-17(22)11-9-15/h1-12H,13H2
InChIKeyKSPLWGSWFZLVKQ-UHFFFAOYSA-N
MW336.80 g/mol
LogP5.54
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole

1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole (PubChem CID 19243208) has the molecular formula C20H14ClFN2 and a molecular weight of 336.80 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
PubChem CID19243208
Molecular FormulaC20H14ClFN2
Molecular Weight336.80 g/mol
Exact Mass336.08
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
SMILESFc1ccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H14ClFN2/c21-16-5-3-4-14(12-16)13-24-19-7-2-1-6-18(19)23-20(24)15-8-10-17(22)11-9-15/h1-12H,13H2
InChIKeyKSPLWGSWFZLVKQ-UHFFFAOYSA-N
XLogP5.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.80
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole (CID 19243208) is 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole is Fc1ccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole?
The InChIKey is KSPLWGSWFZLVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2/c21-16-5-3-4-14(12-16)13-24-19-7-2-1-6-18(19)23-20(24)15-8-10-17(22)11-9-15/h1-12H,13H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole?
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole has a molecular weight of 336.80 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole is sourced from PubChem (CID 19243208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).