N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide

C13H18N4O2 — CID 82501060

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C13H18N4O2/c1-14-8-12(18)15(2)9-5-6-10-11(7-9)17(4)13(19)16(10)3/h5-7,14H,8H2,1-4H3
InChIKeyPAPWZUYMRIRSQE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.06
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide (PubChem CID 82501060) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide
PubChem CID82501060
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C13H18N4O2/c1-14-8-12(18)15(2)9-5-6-10-11(7-9)17(4)13(19)16(10)3/h5-7,14H,8H2,1-4H3
InChIKeyPAPWZUYMRIRSQE-UHFFFAOYSA-N
XLogP0.06
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide (CID 82501060) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide?
The InChIKey is PAPWZUYMRIRSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-8-12(18)15(2)9-5-6-10-11(7-9)17(4)13(19)16(10)3/h5-7,14H,8H2,1-4H3.
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 82501060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).