4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide

C25H24ClN3O — CID 16984574

IUPAC4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
SMILESCC(c1ccccc1)n1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C25H24ClN3O/c1-18(19-8-3-2-4-9-19)29-23-11-6-5-10-22(23)28-24(29)12-7-17-27-25(30)20-13-15-21(26)16-14-20/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,27,30)
InChIKeyWFFVUILIWJPAAK-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.66
Rot. Bonds7

About 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide

4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984574) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16984574
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide
SMILESCC(c1ccccc1)n1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C25H24ClN3O/c1-18(19-8-3-2-4-9-19)29-23-11-6-5-10-22(23)28-24(29)12-7-17-27-25(30)20-13-15-21(26)16-14-20/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,27,30)
InChIKeyWFFVUILIWJPAAK-UHFFFAOYSA-N
XLogP5.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide 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-(4-chlorophenoxy)-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]acetamide
CID 16986394
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982056
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
N-[3-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 40639636
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991383
N-[5-[1-(1-phenylethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989127
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
N-[2-[1-(1-phenylethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975581
4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide
CID 17009138

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide (CID 16984574) is 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide is CC(c1ccccc1)n1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is WFFVUILIWJPAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-18(19-8-3-2-4-9-19)29-23-11-6-5-10-22(23)28-24(29)12-7-17-27-25(30)20-13-15-21(26)16-14-20/h2-6,8-11,13-16,18H,7,12,17H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide?
4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 417.94 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).