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

C24H30ClN3O — CID 16990411

IUPAC3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCC(C)CCn1c(CCCCCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O/c1-18(2)14-16-28-22-12-6-5-11-21(22)27-23(28)13-4-3-7-15-26-24(29)19-9-8-10-20(25)17-19/h5-6,8-12,17-18H,3-4,7,13-16H2,1-2H3,(H,26,29)
InChIKeyWUDGSEDKKWONID-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.88
Rot. Bonds10

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

3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16990411) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16990411
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCC(C)CCn1c(CCCCCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C24H30ClN3O/c1-18(2)14-16-28-22-12-6-5-11-21(22)27-23(28)13-4-3-7-15-26-24(29)19-9-8-10-20(25)17-19/h5-6,8-12,17-18H,3-4,7,13-16H2,1-2H3,(H,26,29)
InChIKeyWUDGSEDKKWONID-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'}

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Related Compounds

4-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991383
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990536
3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990410
2-(4-chlorophenyl)-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993813
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
CID 16977909
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
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990406
3-chloro-N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990505
3-chloro-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990491
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide (CID 16990411) is 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide is CC(C)CCn1c(CCCCCNC(=O)c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is WUDGSEDKKWONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-18(2)14-16-28-22-12-6-5-11-21(22)27-23(28)13-4-3-7-15-26-24(29)19-9-8-10-20(25)17-19/h5-6,8-12,17-18H,3-4,7,13-16H2,1-2H3,(H,26,29).
What are the key properties of 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide?
3-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 3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16990411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).