2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide

C19H21N3O3 — CID 18142814

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
SMILESCn1c(=O)n(CC(=O)NCCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C19H21N3O3/c1-21-16-10-5-6-11-17(16)22(19(21)24)14-18(23)20-12-7-13-25-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,20,23)
InChIKeyCDCRFJSXOMHHST-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.93
Rot. Bonds7

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide (PubChem CID 18142814) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
PubChem CID18142814
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
SMILESCn1c(=O)n(CC(=O)NCCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C19H21N3O3/c1-21-16-10-5-6-11-17(16)22(19(21)24)14-18(23)20-12-7-13-25-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,20,23)
InChIKeyCDCRFJSXOMHHST-UHFFFAOYSA-N
XLogP1.93
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 110396282
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
4-[4-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247012
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18121427
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 18121535
2-(9-oxoacridin-10-yl)-N-(2-phenoxyethyl)acetamide
CID 26024228
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
N-(3-imidazol-1-ylpropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51328575
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24607659

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide (CID 18142814) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide is Cn1c(=O)n(CC(=O)NCCCOc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide?
The InChIKey is CDCRFJSXOMHHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-16-10-5-6-11-17(16)22(19(21)24)14-18(23)20-12-7-13-25-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,20,23).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide is sourced from PubChem (CID 18142814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).