N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide

C19H20N4O3 — CID 32917381

IUPACN-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)c1
InChIInChI=1S/C19H20N4O3/c1-20-18(25)14-7-5-6-13(10-14)11-21-17(24)12-23-16-9-4-3-8-15(16)22(2)19(23)26/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyPWFHRUORMCEQQU-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.02
Rot. Bonds5

About N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide

N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide (PubChem CID 32917381) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
PubChem CID32917381
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)c1
InChIInChI=1S/C19H20N4O3/c1-20-18(25)14-7-5-6-13(10-14)11-21-17(24)12-23-16-9-4-3-8-15(16)22(2)19(23)26/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyPWFHRUORMCEQQU-UHFFFAOYSA-N
XLogP1.02
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32637431
N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
CID 30858933
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17497629
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide
CID 46593452
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-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32990360
N-[(5-bromothiophen-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 32778294
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17454926
3-[[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]-N-methylbenzamide
CID 55632429
4-[4-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247012

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide (CID 32917381) is N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)Cn2c(=O)n(C)c3ccccc32)c1.
What is the InChIKey of N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide?
The InChIKey is PWFHRUORMCEQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-20-18(25)14-7-5-6-13(10-14)11-21-17(24)12-23-16-9-4-3-8-15(16)22(2)19(23)26/h3-10H,11-12H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide?
N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 32917381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).