4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide

C23H28ClN3O — CID 16991376

IUPAC4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCC(C)Cn1c(CCCCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H28ClN3O/c1-17(2)16-27-21-9-6-5-8-20(21)26-22(27)10-4-3-7-15-25-23(28)18-11-13-19(24)14-12-18/h5-6,8-9,11-14,17H,3-4,7,10,15-16H2,1-2H3,(H,25,28)
InChIKeyMKIMKSQXAXFFHZ-UHFFFAOYSA-N
MW397.95 g/mol
LogP5.49
Rot. Bonds9

About 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide

4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991376) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991376
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCC(C)Cn1c(CCCCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C23H28ClN3O/c1-17(2)16-27-21-9-6-5-8-20(21)26-22(27)10-4-3-7-15-25-23(28)18-11-13-19(24)14-12-18/h5-6,8-9,11-14,17H,3-4,7,10,15-16H2,1-2H3,(H,25,28)
InChIKeyMKIMKSQXAXFFHZ-UHFFFAOYSA-N
XLogP5.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 55.49
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-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]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

4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991383
2-fluoro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989918
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
3,4-dimethoxy-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990890
2-(2-chlorophenyl)-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993644
3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990410
4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512
4-chloro-N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991453
3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990411
N-[5-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991334
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991376) is 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide is CC(C)Cn1c(CCCCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is MKIMKSQXAXFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-17(2)16-27-21-9-6-5-8-20(21)26-22(27)10-4-3-7-15-25-23(28)18-11-13-19(24)14-12-18/h5-6,8-9,11-14,17H,3-4,7,10,15-16H2,1-2H3,(H,25,28).
What are the key properties of 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide?
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 397.95 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).