2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole

C14H9ClF2N2 — CID 60978242

IUPAC2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(Cc3ccccc3Cl)[nH]c2cc1F
InChIInChI=1S/C14H9ClF2N2/c15-9-4-2-1-3-8(9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5H2,(H,18,19)
InChIKeyVYUXYJGEYPUBDO-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.09
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole

2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole (PubChem CID 60978242) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
PubChem CID60978242
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC Name2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(Cc3ccccc3Cl)[nH]c2cc1F
InChIInChI=1S/C14H9ClF2N2/c15-9-4-2-1-3-8(9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5H2,(H,18,19)
InChIKeyVYUXYJGEYPUBDO-UHFFFAOYSA-N
XLogP4.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole (CID 60978242) is 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(Cc3ccccc3Cl)[nH]c2cc1F.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole?
The InChIKey is VYUXYJGEYPUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c15-9-4-2-1-3-8(9)5-14-18-12-6-10(16)11(17)7-13(12)19-14/h1-4,6-7H,5H2,(H,18,19).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole?
2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole has a molecular weight of 278.69 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 60978242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).