N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide

C24H30N4O2 — CID 17031125

IUPACN-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C24H30N4O2/c1-4-8-23(29)25-14-7-11-22-26-19-9-5-6-10-21(19)28(22)16-24(30)27-20-15-17(2)12-13-18(20)3/h5-6,9-10,12-13,15H,4,7-8,11,14,16H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyVQZIHOFXQRDVDM-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.14
Rot. Bonds9

About N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide

N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide (PubChem CID 17031125) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
PubChem CID17031125
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C24H30N4O2/c1-4-8-23(29)25-14-7-11-22-26-19-9-5-6-10-21(19)28(22)16-24(30)27-20-15-17(2)12-13-18(20)3/h5-6,9-10,12-13,15H,4,7-8,11,14,16H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyVQZIHOFXQRDVDM-UHFFFAOYSA-N
XLogP4.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide 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

N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030383
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 17031223
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988157
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030392
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17032461
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide (CID 17031125) is N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide is CCCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The InChIKey is VQZIHOFXQRDVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-8-23(29)25-14-7-11-22-26-19-9-5-6-10-21(19)28(22)16-24(30)27-20-15-17(2)12-13-18(20)3/h5-6,9-10,12-13,15H,4,7-8,11,14,16H2,1-3H3,(H,25,29)(H,27,30).
What are the key properties of N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide has a molecular weight of 406.53 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 17031125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).