N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

C24H31N3O2 — CID 16980588

IUPACN-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1C(C)C
InChIInChI=1S/C24H31N3O2/c1-18(2)20-10-4-7-13-23(20)29-17-9-16-27-22-12-6-5-11-21(22)26-24(27)14-8-15-25-19(3)28/h4-7,10-13,18H,8-9,14-17H2,1-3H3,(H,25,28)
InChIKeyAFIJNWXQPIYLGM-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.70
Rot. Bonds10

About N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16980588) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16980588
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1C(C)C
InChIInChI=1S/C24H31N3O2/c1-18(2)20-10-4-7-13-23(20)29-17-9-16-27-22-12-6-5-11-21(22)26-24(27)14-8-15-25-19(3)28/h4-7,10-13,18H,8-9,14-17H2,1-3H3,(H,25,28)
InChIKeyAFIJNWXQPIYLGM-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.70
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-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide 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-methyl-N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986941
2-methyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986915
N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982290
(Z)-N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]but-2-enamide
CID 16987132
2-phenoxy-N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16986322
2-ethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981004
2-(4-phenylphenyl)-N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16985912
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583
N-[2-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974316
2-phenoxy-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16992914
2-(4-chlorophenyl)-N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985455
N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16981992

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (CID 16980588) is N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is CC(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1C(C)C.
What is the InChIKey of N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is AFIJNWXQPIYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(2)20-10-4-7-13-23(20)29-17-9-16-27-22-12-6-5-11-21(22)26-24(27)14-8-15-25-19(3)28/h4-7,10-13,18H,8-9,14-17H2,1-3H3,(H,25,28).
What are the key properties of N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16980588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).