2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide

C23H29N3O2 — CID 3160758

IUPAC2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)22(27)24-15-14-21-25-19-12-7-8-13-20(19)26(21)16-9-17-28-18-10-5-4-6-11-18/h4-8,10-13H,9,14-17H2,1-3H3,(H,24,27)
InChIKeyDXBFBGDFHWSYAP-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.21
Rot. Bonds8

About 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 3160758) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID3160758
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)22(27)24-15-14-21-25-19-12-7-8-13-20(19)26(21)16-9-17-28-18-10-5-4-6-11-18/h4-8,10-13H,9,14-17H2,1-3H3,(H,24,27)
InChIKeyDXBFBGDFHWSYAP-UHFFFAOYSA-N
XLogP4.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.21
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-[2-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975009
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
2-methyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980437
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975007
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981475
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975801
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988882
N-[5-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988872
2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 4754850
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975018
N-[2-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974216
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide (CID 3160758) is 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide is CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is DXBFBGDFHWSYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,3)22(27)24-15-14-21-25-19-12-7-8-13-20(19)26(21)16-9-17-28-18-10-5-4-6-11-18/h4-8,10-13H,9,14-17H2,1-3H3,(H,24,27).
What are the key properties of 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 3160758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).