5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one

C21H25N3O2 — CID 11653229

IUPAC5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CCCCC(=O)c1ccc2[nH]c(=O)[nH]c2c1)CCc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-24(14-12-16-7-3-2-4-8-16)13-6-5-9-20(25)17-10-11-18-19(15-17)23-21(26)22-18/h2-4,7-8,10-11,15H,5-6,9,12-14H2,1H3,(H2,22,23,26)
InChIKeyPYTZUNLGJAPTOZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.38
Rot. Bonds9

About 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one

5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 11653229) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID11653229
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CCCCC(=O)c1ccc2[nH]c(=O)[nH]c2c1)CCc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-24(14-12-16-7-3-2-4-8-16)13-6-5-9-20(25)17-10-11-18-19(15-17)23-21(26)22-18/h2-4,7-8,10-11,15H,5-6,9,12-14H2,1H3,(H2,22,23,26)
InChIKeyPYTZUNLGJAPTOZ-UHFFFAOYSA-N
XLogP3.38
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one 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

5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
1-chloro-6-[5-[methyl(2-phenylethyl)amino]pentanoyl]-3,4-dihydroquinazolin-2-one
CID 141068942
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
CID 65488620
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
1-(2-hydroxy-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-5-[methyl(2-phenylethyl)amino]pentan-1-one
CID 142260958
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
1-(3,4-dihydroxyphenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65486677
ethane;6-[5-[2-(2-fluorophenyl)ethyl-methylamino]pentanoyl]-4H-1,4-benzoxazin-3-one
CID 142261033

Frequently Asked Questions

What is the IUPAC name of 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one (CID 11653229) is 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one is CN(CCCCC(=O)c1ccc2[nH]c(=O)[nH]c2c1)CCc1ccccc1.
What is the InChIKey of 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PYTZUNLGJAPTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24(14-12-16-7-3-2-4-8-16)13-6-5-9-20(25)17-10-11-18-19(15-17)23-21(26)22-18/h2-4,7-8,10-11,15H,5-6,9,12-14H2,1H3,(H2,22,23,26).
What are the key properties of 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one?
5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 11653229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).