2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole

C15H12F2N2O — CID 115911966

IUPAC2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
SMILESCCOc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1
InChIInChI=1S/C15H12F2N2O/c1-2-20-10-5-3-9(4-6-10)15-18-12-8-7-11(16)13(17)14(12)19-15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyDLRAQMGKAWZPSG-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.91
Rot. Bonds3

About 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole

2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole (PubChem CID 115911966) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
PubChem CID115911966
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
SMILESCCOc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1
InChIInChI=1S/C15H12F2N2O/c1-2-20-10-5-3-9(4-6-10)15-18-12-8-7-11(16)13(17)14(12)19-15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyDLRAQMGKAWZPSG-UHFFFAOYSA-N
XLogP3.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 115911975
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
CID 112556560
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
CID 112556664
2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-amino-4-(4,5-difluoro-1H-benzimidazol-2-yl)phenol
CID 136872155
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892
ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate
CID 123322949
2-(4-aminophenyl)-4-fluoro-1H-benzimidazol-5-amine
CID 171780777
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82289204

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole (CID 115911966) is 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole is CCOc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole?
The InChIKey is DLRAQMGKAWZPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-2-20-10-5-3-9(4-6-10)15-18-12-8-7-11(16)13(17)14(12)19-15/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole?
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole has a molecular weight of 274.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 115911966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).