2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide

C24H31N3O — CID 16982511

IUPAC2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
SMILESCCC(C)Cn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-5-17(2)16-27-22-10-7-6-9-21(22)26-23(27)11-8-14-25-24(28)20-13-12-18(3)15-19(20)4/h6-7,9-10,12-13,15,17H,5,8,11,14,16H2,1-4H3,(H,25,28)
InChIKeyJVTPDIRJHVAFIA-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.06
Rot. Bonds8

About 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide

2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982511) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16982511
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
SMILESCCC(C)Cn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C24H31N3O/c1-5-17(2)16-27-22-10-7-6-9-21(22)26-23(27)11-8-14-25-24(28)20-13-12-18(3)15-19(20)4/h6-7,9-10,12-13,15,17H,5,8,11,14,16H2,1-4H3,(H,25,28)
InChIKeyJVTPDIRJHVAFIA-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16984255
2,4-dimethyl-N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]benzamide
CID 16982506
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985028
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
N-[3-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982600
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982530

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide (CID 16982511) is 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide is CCC(C)Cn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is JVTPDIRJHVAFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-5-17(2)16-27-22-10-7-6-9-21(22)26-23(27)11-8-14-25-24(28)20-13-12-18(3)15-19(20)4/h6-7,9-10,12-13,15,17H,5,8,11,14,16H2,1-4H3,(H,25,28).
What are the key properties of 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide?
2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 377.53 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).