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

C18H19N3O3 — CID 32639195

IUPACN-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCOCc1cccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1
InChIInChI=1S/C18H19N3O3/c1-20-15-8-3-4-9-16(15)21(18(20)23)11-17(22)19-14-7-5-6-13(10-14)12-24-2/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyGHJQUOAXTBDJDB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.13
Rot. Bonds5

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

N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 32639195) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID32639195
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCOCc1cccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1
InChIInChI=1S/C18H19N3O3/c1-20-15-8-3-4-9-16(15)21(18(20)23)11-17(22)19-14-7-5-6-13(10-14)12-24-2/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyGHJQUOAXTBDJDB-UHFFFAOYSA-N
XLogP2.13
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
tert-butyl N-methyl-N-[[3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]phenyl]methyl]carbamate
CID 55851449
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-[(R)-methylsulfinyl]phenyl]acetamide
CID 95619904
methyl 3-[2-[3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]phenyl]ethynyl]benzoate
CID 55531556
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55495817
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17449983
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32637431
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
CID 18139030
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 32639195) is N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is COCc1cccc(NC(=O)Cn2c(=O)n(C)c3ccccc32)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is GHJQUOAXTBDJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-20-15-8-3-4-9-16(15)21(18(20)23)11-17(22)19-14-7-5-6-13(10-14)12-24-2/h3-10H,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 32639195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).