N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

C20H21F2N3O3 — CID 55710560

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)NC(C)c2cccc(OC(F)F)c2)c2ccccc21
InChIInChI=1S/C20H21F2N3O3/c1-3-24-16-9-4-5-10-17(16)25(20(24)27)12-18(26)23-13(2)14-7-6-8-15(11-14)28-19(21)22/h4-11,13,19H,3,12H2,1-2H3,(H,23,26)
InChIKeyAJPQXXATYNNGNT-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.30
Rot. Bonds7

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 55710560) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID55710560
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)NC(C)c2cccc(OC(F)F)c2)c2ccccc21
InChIInChI=1S/C20H21F2N3O3/c1-3-24-16-9-4-5-10-17(16)25(20(24)27)12-18(26)23-13(2)14-7-6-8-15(11-14)28-19(21)22/h4-11,13,19H,3,12H2,1-2H3,(H,23,26)
InChIKeyAJPQXXATYNNGNT-UHFFFAOYSA-N
XLogP3.30
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 55713351
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 46470808
N-[1-(3-acetamidophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55585412
N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25337144
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478901
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51648189
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648188
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38034884
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51729577
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide (CID 55710560) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is CCn1c(=O)n(CC(=O)NC(C)c2cccc(OC(F)F)c2)c2ccccc21.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is AJPQXXATYNNGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-3-24-16-9-4-5-10-17(16)25(20(24)27)12-18(26)23-13(2)14-7-6-8-15(11-14)28-19(21)22/h4-11,13,19H,3,12H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 389.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 55710560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).