N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide

C24H21F2N3O3 — CID 16581032

IUPACN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1
InChIInChI=1S/C24H21F2N3O3/c1-2-31-18-11-13-19(14-12-18)32-15-22(30)27-17-9-7-16(8-10-17)23-28-20-5-3-4-6-21(20)29(23)24(25)26/h3-14,24H,2,15H2,1H3,(H,27,30)
InChIKeyQGAYTQUOLCTHSY-UHFFFAOYSA-N
MW437.45 g/mol
LogP5.51
Rot. Bonds8

About N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide

N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 16581032) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID16581032
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC NameN-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1
InChIInChI=1S/C24H21F2N3O3/c1-2-31-18-11-13-19(14-12-18)32-15-22(30)27-17-9-7-16(8-10-17)23-28-20-5-3-4-6-21(20)29(23)24(25)26/h3-14,24H,2,15H2,1H3,(H,27,30)
InChIKeyQGAYTQUOLCTHSY-UHFFFAOYSA-N
XLogP5.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]pyridine-4-carboxamide
CID 17438775
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-(2-oxoethoxy)benzamide
CID 166155644
2-cyclopent-2-en-1-yl-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]acetamide
CID 24599608
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 24599606
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide (CID 16581032) is N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1.
What is the InChIKey of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is QGAYTQUOLCTHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c1-2-31-18-11-13-19(14-12-18)32-15-22(30)27-17-9-7-16(8-10-17)23-28-20-5-3-4-6-21(20)29(23)24(25)26/h3-14,24H,2,15H2,1H3,(H,27,30).
What are the key properties of N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide?
N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 437.45 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 16581032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).