2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole

C14H9ClF2N2O — CID 60979188

IUPAC2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(COc3ccc(Cl)cc3)[nH]c2cc1F
InChIInChI=1S/C14H9ClF2N2O/c15-8-1-3-9(4-2-8)20-7-14-18-12-5-10(16)11(17)6-13(12)19-14/h1-6H,7H2,(H,18,19)
InChIKeyFFKRSNFEEJFFPO-UHFFFAOYSA-N
MW294.69 g/mol
LogP4.07
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole

2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole (PubChem CID 60979188) has the molecular formula C14H9ClF2N2O and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
PubChem CID60979188
Molecular FormulaC14H9ClF2N2O
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(COc3ccc(Cl)cc3)[nH]c2cc1F
InChIInChI=1S/C14H9ClF2N2O/c15-8-1-3-9(4-2-8)20-7-14-18-12-5-10(16)11(17)6-13(12)19-14/h1-6H,7H2,(H,18,19)
InChIKeyFFKRSNFEEJFFPO-UHFFFAOYSA-N
XLogP4.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole (CID 60979188) is 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(COc3ccc(Cl)cc3)[nH]c2cc1F.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole?
The InChIKey is FFKRSNFEEJFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O/c15-8-1-3-9(4-2-8)20-7-14-18-12-5-10(16)11(17)6-13(12)19-14/h1-6H,7H2,(H,18,19).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole?
2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole has a molecular weight of 294.69 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 60979188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).