N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide

C20H23N3O3 — CID 110396282

IUPACN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
SMILESCn1c(=O)n(CCNC(=O)CCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-22-17-10-5-6-11-18(17)23(20(22)25)14-13-21-19(24)12-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,24)
InChIKeyDAVPBPGQBLELKT-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.32
Rot. Bonds8

About N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide

N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide (PubChem CID 110396282) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
PubChem CID110396282
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
SMILESCn1c(=O)n(CCNC(=O)CCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C20H23N3O3/c1-22-17-10-5-6-11-18(17)23(20(22)25)14-13-21-19(24)12-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,24)
InChIKeyDAVPBPGQBLELKT-UHFFFAOYSA-N
XLogP2.32
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506
4-[4-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247012
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-3,3-diphenylpropanamide
CID 110396269
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
N-[2-(4-methoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591044
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
CID 50875549
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide (CID 110396282) is N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide is Cn1c(=O)n(CCNC(=O)CCCOc2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide?
The InChIKey is DAVPBPGQBLELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22-17-10-5-6-11-18(17)23(20(22)25)14-13-21-19(24)12-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,24).
What are the key properties of N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide?
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide has a molecular weight of 353.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 110396282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).