N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide

C22H25N3O2 — CID 51221928

IUPACN-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCCCn2cnc3ccccc32)c1
InChIInChI=1S/C22H25N3O2/c1-16-8-9-17(2)18(14-16)21(26)10-11-22(27)23-12-5-13-25-15-24-19-6-3-4-7-20(19)25/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,23,27)
InChIKeyFCPLJUHVMZJOLW-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.82
Rot. Bonds8

About N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide

N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 51221928) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID51221928
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCCCn2cnc3ccccc32)c1
InChIInChI=1S/C22H25N3O2/c1-16-8-9-17(2)18(14-16)21(26)10-11-22(27)23-12-5-13-25-15-24-19-6-3-4-7-20(19)25/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,23,27)
InChIKeyFCPLJUHVMZJOLW-UHFFFAOYSA-N
XLogP3.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.82
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

N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 24553388
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
CID 51277131
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
2-[3-(benzimidazol-1-yl)propylcarbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55457371
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide (CID 51221928) is N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)NCCCn2cnc3ccccc32)c1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is FCPLJUHVMZJOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-8-9-17(2)18(14-16)21(26)10-11-22(27)23-12-5-13-25-15-24-19-6-3-4-7-20(19)25/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide?
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 363.46 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 51221928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).