N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C18H18FN3O2 — CID 17497629

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCc1cc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)ccc1F
InChIInChI=1S/C18H18FN3O2/c1-12-9-13(7-8-14(12)19)10-20-17(23)11-22-16-6-4-3-5-15(16)21(2)18(22)24/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyWBGADRIJPZDIFY-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.10
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 17497629) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID17497629
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCc1cc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)ccc1F
InChIInChI=1S/C18H18FN3O2/c1-12-9-13(7-8-14(12)19)10-20-17(23)11-22-16-6-4-3-5-15(16)21(2)18(22)24/h3-9H,10-11H2,1-2H3,(H,20,23)
InChIKeyWBGADRIJPZDIFY-UHFFFAOYSA-N
XLogP2.10
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32637431
N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32917381
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32990360
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17454926
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
4-[4-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247012
N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32778294
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24611766
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 17497629) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is Cc1cc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is WBGADRIJPZDIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-9-13(7-8-14(12)19)10-20-17(23)11-22-16-6-4-3-5-15(16)21(2)18(22)24/h3-9H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17497629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).