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

C25H24ClN3O3 — CID 17008310

IUPAC3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(OCCCn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O3/c1-31-20-10-12-21(13-11-20)32-15-5-14-29-23-9-3-2-8-22(23)28-24(29)17-27-25(30)18-6-4-7-19(26)16-18/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,27,30)
InChIKeyVMLYTALHBQNLLM-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.10
Rot. Bonds9

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

3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008310) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008310
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(OCCCn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)cc1
InChIInChI=1S/C25H24ClN3O3/c1-31-20-10-12-21(13-11-20)32-15-5-14-29-23-9-3-2-8-22(23)28-24(29)17-27-25(30)18-6-4-7-19(26)16-18/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,27,30)
InChIKeyVMLYTALHBQNLLM-UHFFFAOYSA-N
XLogP5.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
3-chloro-N-[[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008370
3-methoxy-N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008013
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
3-chloro-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990491
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
3-bromo-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008145
N-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17009076
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
3-chloro-N-[3-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983532
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (CID 17008310) is 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is COc1ccc(OCCCn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is VMLYTALHBQNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-31-20-10-12-21(13-11-20)32-15-5-14-29-23-9-3-2-8-22(23)28-24(29)17-27-25(30)18-6-4-7-19(26)16-18/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,27,30).
What are the key properties of 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 449.94 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).