2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide

C13H17N3O2 — CID 2001019

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C13H17N3O2/c1-3-8-14-12(17)9-16-11-7-5-4-6-10(11)15(2)13(16)18/h4-7H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyPPRMVARUQBINJK-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.87
Rot. Bonds4

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide (PubChem CID 2001019) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide
PubChem CID2001019
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C13H17N3O2/c1-3-8-14-12(17)9-16-11-7-5-4-6-10(11)15(2)13(16)18/h4-7H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyPPRMVARUQBINJK-UHFFFAOYSA-N
XLogP0.87
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide (CID 2001019) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide?
The InChIKey is PPRMVARUQBINJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-8-14-12(17)9-16-11-7-5-4-6-10(11)15(2)13(16)18/h4-7H,3,8-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylacetamide is sourced from PubChem (CID 2001019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).