2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide

C19H19N5O3 — CID 55736076

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H19N5O3/c1-11(12-7-8-13-14(9-12)22-18(26)21-13)20-17(25)10-24-16-6-4-3-5-15(16)23(2)19(24)27/h3-9,11H,10H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyBDAXJGROQKJPQM-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.39
Rot. Bonds4

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide (PubChem CID 55736076) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
PubChem CID55736076
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H19N5O3/c1-11(12-7-8-13-14(9-12)22-18(26)21-13)20-17(25)10-24-16-6-4-3-5-15(16)23(2)19(24)27/h3-9,11H,10H2,1-2H3,(H,20,25)(H2,21,22,26)
InChIKeyBDAXJGROQKJPQM-UHFFFAOYSA-N
XLogP1.39
TPSA104.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 55866691
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 47017963
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478901
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 46449013
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 46470808
2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 95288291
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682430
4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55867468
N-[1-(3-acetamidophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55585412
methanamine;(2S)-N-methyl-2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]butanediamide
CID 160909919

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide (CID 55736076) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide is CC(NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The InChIKey is BDAXJGROQKJPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11(12-7-8-13-14(9-12)22-18(26)21-13)20-17(25)10-24-16-6-4-3-5-15(16)23(2)19(24)27/h3-9,11H,10H2,1-2H3,(H,20,25)(H2,21,22,26).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 55736076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).