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

C18H17F2N3O3 — CID 24611766

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)NCc2ccccc2OC(F)F)c2ccccc21
InChIInChI=1S/C18H17F2N3O3/c1-22-13-7-3-4-8-14(13)23(18(22)25)11-16(24)21-10-12-6-2-5-9-15(12)26-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,24)
InChIKeySIWDSAMRBFGJIM-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.26
Rot. Bonds6

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

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 24611766) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID24611766
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)NCc2ccccc2OC(F)F)c2ccccc21
InChIInChI=1S/C18H17F2N3O3/c1-22-13-7-3-4-8-14(13)23(18(22)25)11-16(24)21-10-12-6-2-5-9-15(12)26-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,24)
InChIKeySIWDSAMRBFGJIM-UHFFFAOYSA-N
XLogP2.26
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292749
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 55503709
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55507658
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18165058
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 18143899
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17479938
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17497629
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32778294
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119700388

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 24611766) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is Cn1c(=O)n(CC(=O)NCc2ccccc2OC(F)F)c2ccccc21.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is SIWDSAMRBFGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-22-13-7-3-4-8-14(13)23(18(22)25)11-16(24)21-10-12-6-2-5-9-15(12)26-17(19)20/h2-9,17H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 361.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 24611766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).