N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide

C25H33N3O2 — CID 16980760

IUPACN-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1CCCCOc1c(C)cccc1C
InChIInChI=1S/C25H33N3O2/c1-4-24(29)26-16-10-15-23-27-21-13-5-6-14-22(21)28(23)17-7-8-18-30-25-19(2)11-9-12-20(25)3/h5-6,9,11-14H,4,7-8,10,15-18H2,1-3H3,(H,26,29)
InChIKeyQQXBNXNTNNKDDT-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.97
Rot. Bonds11

About N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide

N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide (PubChem CID 16980760) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
PubChem CID16980760
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1CCCCOc1c(C)cccc1C
InChIInChI=1S/C25H33N3O2/c1-4-24(29)26-16-10-15-23-27-21-13-5-6-14-22(21)28(23)17-7-8-18-30-25-19(2)11-9-12-20(25)3/h5-6,9,11-14H,4,7-8,10,15-18H2,1-3H3,(H,26,29)
InChIKeyQQXBNXNTNNKDDT-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]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

N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988051
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984937
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981715
2-(4-chlorophenyl)-N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985452
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986805
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980865
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992616
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982927
N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988699
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980755
N-[3-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986751

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide?
The IUPAC name of N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide (CID 16980760) is N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide?
The canonical SMILES for N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide is CCC(=O)NCCCc1nc2ccccc2n1CCCCOc1c(C)cccc1C.
What is the InChIKey of N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide?
The InChIKey is QQXBNXNTNNKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-24(29)26-16-10-15-23-27-21-13-5-6-14-22(21)28(23)17-7-8-18-30-25-19(2)11-9-12-20(25)3/h5-6,9,11-14H,4,7-8,10,15-18H2,1-3H3,(H,26,29).
What are the key properties of N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide?
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide has a molecular weight of 407.56 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 16980760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).