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

C16H14F2N2O — CID 82144371

IUPAC2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole
SMILESCCc1ccc(OCc2nc3cc(F)c(F)cc3[nH]2)cc1
InChIInChI=1S/C16H14F2N2O/c1-2-10-3-5-11(6-4-10)21-9-16-19-14-7-12(17)13(18)8-15(14)20-16/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyFAAXPCWHJHAAEN-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.98
Rot. Bonds4

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

2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole (PubChem CID 82144371) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole
PubChem CID82144371
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole
SMILESCCc1ccc(OCc2nc3cc(F)c(F)cc3[nH]2)cc1
InChIInChI=1S/C16H14F2N2O/c1-2-10-3-5-11(6-4-10)21-9-16-19-14-7-12(17)13(18)8-15(14)20-16/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyFAAXPCWHJHAAEN-UHFFFAOYSA-N
XLogP3.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 60979188
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
3-[(5,6-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747407
2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
CID 143712602
2-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-ethyl-1H-benzimidazole
CID 50754084
2-[(4-ethoxyphenoxy)methyl]-3H-benzimidazole-5-carbaldehyde
CID 84756475
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
CID 60978368
2-[(4-ethylphenoxy)methyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 82337401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole (CID 82144371) is 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole is CCc1ccc(OCc2nc3cc(F)c(F)cc3[nH]2)cc1.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole?
The InChIKey is FAAXPCWHJHAAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-2-10-3-5-11(6-4-10)21-9-16-19-14-7-12(17)13(18)8-15(14)20-16/h3-8H,2,9H2,1H3,(H,19,20).
What are the key properties of 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole?
2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole has a molecular weight of 288.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 82144371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).