N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide

C23H29N3O2 — CID 16980755

IUPACN-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-4-23(27)24-13-7-10-22-25-20-8-5-6-9-21(20)26(22)14-15-28-19-12-11-17(2)18(3)16-19/h5-6,8-9,11-12,16H,4,7,10,13-15H2,1-3H3,(H,24,27)
InChIKeyUOKBXZBBABUOHE-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.19
Rot. Bonds9

About N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide

N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide (PubChem CID 16980755) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
PubChem CID16980755
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
SMILESCCC(=O)NCCCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-4-23(27)24-13-7-10-22-25-20-8-5-6-9-21(20)26(22)14-15-28-19-12-11-17(2)18(3)16-19/h5-6,8-9,11-12,16H,4,7,10,13-15H2,1-3H3,(H,24,27)
InChIKeyUOKBXZBBABUOHE-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988067
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985123
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988237
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966276
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993436
N-[5-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988131
N-[3-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982436
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988066
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991315
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975018

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The IUPAC name of N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide (CID 16980755) is N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide.
What is the SMILES notation for N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The canonical SMILES for N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide is CCC(=O)NCCCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1.
What is the InChIKey of N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
The InChIKey is UOKBXZBBABUOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-23(27)24-13-7-10-22-25-20-8-5-6-9-21(20)26(22)14-15-28-19-12-11-17(2)18(3)16-19/h5-6,8-9,11-12,16H,4,7,10,13-15H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide?
N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 16980755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).