2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C18H17F2N3O2 — CID 75389540

IUPAC2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H17F2N3O2/c1-23-15-6-4-3-5-14(15)22-16(23)11-21-17(24)18(19,20)12-7-9-13(25-2)10-8-12/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyLIIQJLGIZYHDOK-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.99
Rot. Bonds5

About 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 75389540) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
PubChem CID75389540
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C18H17F2N3O2/c1-23-15-6-4-3-5-14(15)22-16(23)11-21-17(24)18(19,20)12-7-9-13(25-2)10-8-12/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyLIIQJLGIZYHDOK-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
1-[(4-methoxyphenyl)methyl]-1,2-dimethyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111272567
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 111181296
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
CID 51073455
methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 134050321
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969578
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 75389540) is 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is COc1ccc(C(F)(F)C(=O)NCc2nc3ccccc3n2C)cc1.
What is the InChIKey of 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is LIIQJLGIZYHDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-23-15-6-4-3-5-14(15)22-16(23)11-21-17(24)18(19,20)12-7-9-13(25-2)10-8-12/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 345.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 75389540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).