2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide

C24H30N4O2 — CID 16981517

IUPAC2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
SMILESCN(C(=O)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-24(2,3)23(30)25-16-10-15-21-26-19-13-8-9-14-20(19)28(21)17-22(29)27(4)18-11-6-5-7-12-18/h5-9,11-14H,10,15-17H2,1-4H3,(H,25,30)
InChIKeyCGHDCLJZZZWNJR-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.79
Rot. Bonds7

About 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide

2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide (PubChem CID 16981517) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
PubChem CID16981517
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
SMILESCN(C(=O)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21)c1ccccc1
InChIInChI=1S/C24H30N4O2/c1-24(2,3)23(30)25-16-10-15-21-26-19-13-8-9-14-20(19)28(21)17-22(29)27(4)18-11-6-5-7-12-18/h5-9,11-14H,10,15-17H2,1-4H3,(H,25,30)
InChIKeyCGHDCLJZZZWNJR-UHFFFAOYSA-N
XLogP3.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide 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

2-[2-(3-hydroxypropyl)benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16995539
4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984537
(Z)-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986199
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568
2-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989892
2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide
CID 4753648
4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512
N-[3-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981519
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
2-(3,4-dimethoxyphenyl)-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994266
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide (CID 16981517) is 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide is CN(C(=O)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide?
The InChIKey is CGHDCLJZZZWNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-24(2,3)23(30)25-16-10-15-21-26-19-13-8-9-14-20(19)28(21)17-22(29)27(4)18-11-6-5-7-12-18/h5-9,11-14H,10,15-17H2,1-4H3,(H,25,30).
What are the key properties of 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide?
2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide has a molecular weight of 406.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 16981517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).