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

C24H30ClN3O — CID 16990410

IUPAC3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCCC(C)Cn1c(CCCCCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O/c1-3-18(2)17-28-22-13-7-6-12-21(22)27-23(28)14-5-4-8-15-26-24(29)19-10-9-11-20(25)16-19/h6-7,9-13,16,18H,3-5,8,14-15,17H2,1-2H3,(H,26,29)
InChIKeyHAEMIBUMTGWRBL-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.88
Rot. Bonds10

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

3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990410) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990410
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCCC(C)Cn1c(CCCCCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O/c1-3-18(2)17-28-22-13-7-6-12-21(22)27-23(28)14-5-4-8-15-26-24(29)19-10-9-11-20(25)16-19/h6-7,9-13,16,18H,3-5,8,14-15,17H2,1-2H3,(H,26,29)
InChIKeyHAEMIBUMTGWRBL-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 3-chloro-N-[5-[1-(2-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

3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990411
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990536
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990406
4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16984255
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
CID 16977909
3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990438
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
3-chloro-N-[5-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990456
3-chloro-N-[5-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990522
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide (CID 16990410) is 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide is CCC(C)Cn1c(CCCCCNC(=O)c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is HAEMIBUMTGWRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-3-18(2)17-28-22-13-7-6-12-21(22)27-23(28)14-5-4-8-15-26-24(29)19-10-9-11-20(25)16-19/h6-7,9-13,16,18H,3-5,8,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
3-chloro-N-[5-[1-(2-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 3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).