N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

C23H29N3O2 — CID 16980583

IUPACN-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(C)c1C
InChIInChI=1S/C23H29N3O2/c1-17-9-6-12-22(18(17)2)28-16-8-15-26-21-11-5-4-10-20(21)25-23(26)13-7-14-24-19(3)27/h4-6,9-12H,7-8,13-16H2,1-3H3,(H,24,27)
InChIKeyBRMJIJKEHFSUED-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.19
Rot. Bonds9

About N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16980583) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16980583
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(C)c1C
InChIInChI=1S/C23H29N3O2/c1-17-9-6-12-22(18(17)2)28-16-8-15-26-21-11-5-4-10-20(21)25-23(26)13-7-14-24-19(3)27/h4-6,9-12H,7-8,13-16H2,1-3H3,(H,24,27)
InChIKeyBRMJIJKEHFSUED-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-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982256
N-[3-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985126
N-[3-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980588
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974769
N-[3-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985936
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976257
N-[5-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994853
2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981324
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966412
N-[3-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981546
N-[5-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988185
N-[[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972459

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (CID 16980583) is N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is CC(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(C)c1C.
What is the InChIKey of N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is BRMJIJKEHFSUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-9-6-12-22(18(17)2)28-16-8-15-26-21-11-5-4-10-20(21)25-23(26)13-7-14-24-19(3)27/h4-6,9-12H,7-8,13-16H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide 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-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16980583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).