4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide

C23H20IN3O — CID 45381320

IUPAC4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide
SMILESNC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20IN3O/c24-19-10-11-20-21(14-19)27-23(26-20)13-18(12-22(25)28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,18H,12-13H2,(H2,25,28)(H,26,27)
InChIKeyVNDSABWLVRFBHZ-UHFFFAOYSA-N
MW481.34 g/mol
LogP5.04
Rot. Bonds6

About 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide

4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide (PubChem CID 45381320) has the molecular formula C23H20IN3O and a molecular weight of 481.34 g/mol. Its IUPAC name is 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide
PubChem CID45381320
Molecular FormulaC23H20IN3O
Molecular Weight481.34 g/mol
Exact Mass481.07
IUPAC Name4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide
SMILESNC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20IN3O/c24-19-10-11-20-21(14-19)27-23(26-20)13-18(12-22(25)28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,18H,12-13H2,(H2,25,28)(H,26,27)
InChIKeyVNDSABWLVRFBHZ-UHFFFAOYSA-N
XLogP5.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.34
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide?
The IUPAC name of 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide (CID 45381320) is 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide.
What is the SMILES notation for 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide?
The canonical SMILES for 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide is NC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide?
The InChIKey is VNDSABWLVRFBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20IN3O/c24-19-10-11-20-21(14-19)27-23(26-20)13-18(12-22(25)28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14,18H,12-13H2,(H2,25,28)(H,26,27).
What are the key properties of 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide?
4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide has a molecular weight of 481.34 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-iodo-1H-benzimidazol-2-yl)-3-(4-phenylphenyl)butanamide is sourced from PubChem (CID 45381320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).