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

C17H18N4O2 — CID 2433563

IUPAC2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1
InChIInChI=1S/C17H18N4O2/c1-21(10-12-5-3-2-4-6-12)11-16(22)18-13-7-8-14-15(9-13)20-17(23)19-14/h2-9H,10-11H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyQGHJNVJIYKMAPD-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.93
Rot. Bonds5

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

2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 2433563) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID2433563
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1
InChIInChI=1S/C17H18N4O2/c1-21(10-12-5-3-2-4-6-12)11-16(22)18-13-7-8-14-15(9-13)20-17(23)19-14/h2-9H,10-11H2,1H3,(H,18,22)(H2,19,20,23)
InChIKeyQGHJNVJIYKMAPD-UHFFFAOYSA-N
XLogP1.93
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 2433563) is 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is QGHJNVJIYKMAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21(10-12-5-3-2-4-6-12)11-16(22)18-13-7-8-14-15(9-13)20-17(23)19-14/h2-9H,10-11H2,1H3,(H,18,22)(H2,19,20,23).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 2433563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).