4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide

C20H21N3O3 — CID 26683095

IUPAC4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-3-13-4-6-14(7-5-13)18(24)10-11-19(25)21-15-8-9-16-17(12-15)23-20(26)22-16/h4-9,12H,2-3,10-11H2,1H3,(H,21,25)(H2,22,23,26)
InChIKeyIASKJFAFDOVULR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.41
Rot. Bonds7

About 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide

4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide (PubChem CID 26683095) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide
PubChem CID26683095
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-3-13-4-6-14(7-5-13)18(24)10-11-19(25)21-15-8-9-16-17(12-15)23-20(26)22-16/h4-9,12H,2-3,10-11H2,1H3,(H,21,25)(H2,22,23,26)
InChIKeyIASKJFAFDOVULR-UHFFFAOYSA-N
XLogP3.41
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 18160949
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-butylbenzoate
CID 18123351
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039
3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26017530
4-(2,5-dimethylphenyl)-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 26683100
N-(2,5-dimethylphenyl)-4-oxo-4-(4-propylphenyl)butanamide
CID 9314118
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227164
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide?
The IUPAC name of 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide (CID 26683095) is 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide.
What is the SMILES notation for 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide?
The canonical SMILES for 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide?
The InChIKey is IASKJFAFDOVULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-3-13-4-6-14(7-5-13)18(24)10-11-19(25)21-15-8-9-16-17(12-15)23-20(26)22-16/h4-9,12H,2-3,10-11H2,1H3,(H,21,25)(H2,22,23,26).
What are the key properties of 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide?
4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide has a molecular weight of 351.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 26683095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).