4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole

C16H14F2N2O — CID 115911909

IUPAC4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1cccc(OCCc2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C16H14F2N2O/c1-10-3-2-4-11(9-10)21-8-7-14-19-13-6-5-12(17)15(18)16(13)20-14/h2-6,9H,7-8H2,1H3,(H,19,20)
InChIKeyWCDJKOZTPWUDNN-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.77
Rot. Bonds4

About 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole

4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole (PubChem CID 115911909) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
PubChem CID115911909
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
SMILESCc1cccc(OCCc2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C16H14F2N2O/c1-10-3-2-4-11(9-10)21-8-7-14-19-13-6-5-12(17)15(18)16(13)20-14/h2-6,9H,7-8H2,1H3,(H,19,20)
InChIKeyWCDJKOZTPWUDNN-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 115911848
6-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine
CID 79795712
4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 115911975
N-methyl-2-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817012
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
CID 115911936
2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
CID 83241772
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene
CID 112769762
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The IUPAC name of 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole (CID 115911909) is 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole.
What is the SMILES notation for 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The canonical SMILES for 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole is Cc1cccc(OCCc2nc3c(F)c(F)ccc3[nH]2)c1.
What is the InChIKey of 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
The InChIKey is WCDJKOZTPWUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-10-3-2-4-11(9-10)21-8-7-14-19-13-6-5-12(17)15(18)16(13)20-14/h2-6,9H,7-8H2,1H3,(H,19,20).
What are the key properties of 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole?
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole has a molecular weight of 288.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole is sourced from PubChem (CID 115911909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).