2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide

C18H18N4O3 — CID 26017533

IUPAC2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H18N4O3/c1-11-4-2-3-5-13(11)17(24)19-9-8-16(23)20-12-6-7-14-15(10-12)22-18(25)21-14/h2-7,10H,8-9H2,1H3,(H,19,24)(H,20,23)(H2,21,22,25)
InChIKeyIUOMJGBQPKBUGF-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.92
Rot. Bonds5

About 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide

2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide (PubChem CID 26017533) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide
PubChem CID26017533
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H18N4O3/c1-11-4-2-3-5-13(11)17(24)19-9-8-16(23)20-12-6-7-14-15(10-12)22-18(25)21-14/h2-7,10H,8-9H2,1H3,(H,19,24)(H,20,23)(H2,21,22,25)
InChIKeyIUOMJGBQPKBUGF-UHFFFAOYSA-N
XLogP1.92
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
4-(2,5-dimethylphenyl)-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 26683100
N-[3-(3-ethynylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46529788
methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26688492
N-[3-[4-bromo-3-(trifluoromethyl)anilino]-3-oxopropyl]-2-methylbenzamide
CID 26921450
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 27160887
N-[3-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46616261
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
N-[3-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
CID 55710958
propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26704483
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide (CID 26017533) is 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide?
The InChIKey is IUOMJGBQPKBUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-4-2-3-5-13(11)17(24)19-9-8-16(23)20-12-6-7-14-15(10-12)22-18(25)21-14/h2-7,10H,8-9H2,1H3,(H,19,24)(H,20,23)(H2,21,22,25).
What are the key properties of 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide?
2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide is sourced from PubChem (CID 26017533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).