2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide

C21H25N3O2 — CID 17006257

IUPAC2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(2)21(25)22-15-20-23-18-11-6-7-12-19(18)24(20)13-8-14-26-17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,22,25)
InChIKeyXLZHVOFZWLNENI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.78
Rot. Bonds8

About 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide

2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide (PubChem CID 17006257) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
PubChem CID17006257
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(2)21(25)22-15-20-23-18-11-6-7-12-19(18)24(20)13-8-14-26-17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,22,25)
InChIKeyXLZHVOFZWLNENI-UHFFFAOYSA-N
XLogP3.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.78
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-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006302
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006243
N-[[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
CID 16971002
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988720
2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide
CID 16981023
N-[[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]methyl]acetamide
CID 17005978
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 16970928
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973825
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide (CID 17006257) is 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide is CC(C)C(=O)NCc1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide?
The InChIKey is XLZHVOFZWLNENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(2)21(25)22-15-20-23-18-11-6-7-12-19(18)24(20)13-8-14-26-17-9-4-3-5-10-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide?
2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 17006257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).