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

C15H21N3O2 — CID 18142151

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-4-7-10-16-14(19)11-18-13-9-6-5-8-12(13)17(2)15(18)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,19)
InChIKeyXPRCRCKFTLMSGF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.65
Rot. Bonds6

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

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide (PubChem CID 18142151) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
PubChem CID18142151
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-4-7-10-16-14(19)11-18-13-9-6-5-8-12(13)17(2)15(18)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,19)
InChIKeyXPRCRCKFTLMSGF-UHFFFAOYSA-N
XLogP1.65
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51328575
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 38900942
2-(2-oxoquinoxalin-1-yl)-N-pentylacetamide
CID 31482684
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide (CID 18142151) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide is CCCCCNC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide?
The InChIKey is XPRCRCKFTLMSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-4-7-10-16-14(19)11-18-13-9-6-5-8-12(13)17(2)15(18)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,19).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.65, 6 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-pentylacetamide is sourced from PubChem (CID 18142151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).