N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide

C19H20FN3O2 — CID 17496098

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2c(C)nc3ccccc32)cc1F
InChIInChI=1S/C19H20FN3O2/c1-13-21-16-6-4-5-7-17(16)23(13)12-19(24)22(2)11-14-8-9-18(25-3)15(20)10-14/h4-10H,11-12H2,1-3H3
InChIKeyKWGJHMTVGJIZQQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.15
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 17496098) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID17496098
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2c(C)nc3ccccc32)cc1F
InChIInChI=1S/C19H20FN3O2/c1-13-21-16-6-4-5-7-17(16)23(13)12-19(24)22(2)11-14-8-9-18(25-3)15(20)10-14/h4-10H,11-12H2,1-3H3
InChIKeyKWGJHMTVGJIZQQ-UHFFFAOYSA-N
XLogP3.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17474837
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18115832
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 71917845
3-(benzimidazol-1-yl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 30299770
2-(3-aminopyrazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 62111533
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole
CID 3666189
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 36846103
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18115840
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide (CID 17496098) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide is COc1ccc(CN(C)C(=O)Cn2c(C)nc3ccccc32)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is KWGJHMTVGJIZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-21-16-6-4-5-7-17(16)23(13)12-19(24)22(2)11-14-8-9-18(25-3)15(20)10-14/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 341.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17496098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).