4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide

C24H30ClN3O — CID 16991383

IUPAC4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCC(C)CCn1c(CCCCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O/c1-18(2)15-17-28-22-9-6-5-8-21(22)27-23(28)10-4-3-7-16-26-24(29)19-11-13-20(25)14-12-19/h5-6,8-9,11-14,18H,3-4,7,10,15-17H2,1-2H3,(H,26,29)
InChIKeyVVXARSDJMTWYDN-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.88
Rot. Bonds10

About 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide

4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991383) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991383
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCC(C)CCn1c(CCCCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O/c1-18(2)15-17-28-22-9-6-5-8-21(22)27-23(28)10-4-3-7-16-26-24(29)19-11-13-20(25)14-12-19/h5-6,8-9,11-14,18H,3-4,7,10,15-17H2,1-2H3,(H,26,29)
InChIKeyVVXARSDJMTWYDN-UHFFFAOYSA-N
XLogP5.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 55.88
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-(3-methylbutyl)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-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990411
2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993813
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
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
4-chloro-N-[5-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991453
4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991435
2-(4-chlorophenoxy)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]acetamide
CID 16986382
4-chloro-N-[5-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991498
4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991383) is 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide is CC(C)CCn1c(CCCCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is VVXARSDJMTWYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-18(2)15-17-28-22-9-6-5-8-21(22)27-23(28)10-4-3-7-16-26-24(29)19-11-13-20(25)14-12-19/h5-6,8-9,11-14,18H,3-4,7,10,15-17H2,1-2H3,(H,26,29).
What are the key properties of 4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 411.98 g/mol, XLogP of 5.88, 10 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-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).