2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide

C13H18N4O2 — CID 115165741

IUPAC2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
SMILESCNC(C)(C)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O2/c1-13(2,14-3)11(18)15-7-8-4-5-9-10(6-8)17-12(19)16-9/h4-6,14H,7H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyYBWITKMWMSAWJC-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.47
Rot. Bonds4

About 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide

2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide (PubChem CID 115165741) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
PubChem CID115165741
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
SMILESCNC(C)(C)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H18N4O2/c1-13(2,14-3)11(18)15-7-8-4-5-9-10(6-8)17-12(19)16-9/h4-6,14H,7H2,1-3H3,(H,15,18)(H2,16,17,19)
InChIKeyYBWITKMWMSAWJC-UHFFFAOYSA-N
XLogP0.47
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
2-methyl-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 62847250
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
3-(2,2-dimethylpropanoylamino)-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131920367
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115179889
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165703
1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 110776173
2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]sulfanylacetic acid
CID 120550099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide (CID 115165741) is 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide is CNC(C)(C)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The InChIKey is YBWITKMWMSAWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2,14-3)11(18)15-7-8-4-5-9-10(6-8)17-12(19)16-9/h4-6,14H,7H2,1-3H3,(H,15,18)(H2,16,17,19).
What are the key properties of 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 115165741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).