N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide

C24H31N3O3 — CID 16981184

IUPACN-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(OC)c1
InChIInChI=1S/C24H31N3O3/c1-3-9-24(28)25-15-7-14-23-26-21-12-4-5-13-22(21)27(23)16-8-17-30-20-11-6-10-19(18-20)29-2/h4-6,10-13,18H,3,7-9,14-17H2,1-2H3,(H,25,28)
InChIKeyWNEWELRNPDMVRR-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.36
Rot. Bonds12

About N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide

N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide (PubChem CID 16981184) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
PubChem CID16981184
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(OC)c1
InChIInChI=1S/C24H31N3O3/c1-3-9-24(28)25-15-7-14-23-26-21-12-4-5-13-22(21)27(23)16-8-17-30-20-11-6-10-19(18-20)29-2/h4-6,10-13,18H,3,7-9,14-17H2,1-2H3,(H,25,28)
InChIKeyWNEWELRNPDMVRR-UHFFFAOYSA-N
XLogP4.36
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.36
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-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992597
(E)-N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]but-2-enamide
CID 16992111
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974210
N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988739
N-[3-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
CID 16981220
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988234
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988237
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide (CID 16981184) is N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide is CCCC(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(OC)c1.
What is the InChIKey of N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide?
The InChIKey is WNEWELRNPDMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-9-24(28)25-15-7-14-23-26-21-12-4-5-13-22(21)27(23)16-8-17-30-20-11-6-10-19(18-20)29-2/h4-6,10-13,18H,3,7-9,14-17H2,1-2H3,(H,25,28).
What are the key properties of N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide?
N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide has a molecular weight of 409.53 g/mol, XLogP of 4.36, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 16981184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).