N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide

C15H21N3O2 — CID 47412640

IUPACN-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-12(2)20-10-15(19)16-8-5-9-18-11-17-13-6-3-4-7-14(13)18/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,16,19)
InChIKeyXTEDAYZLKNVJFG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide

N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide (PubChem CID 47412640) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
PubChem CID47412640
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-12(2)20-10-15(19)16-8-5-9-18-11-17-13-6-3-4-7-14(13)18/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,16,19)
InChIKeyXTEDAYZLKNVJFG-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
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

2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride
CID 120594808
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
CID 51277131
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51221936
N-[3-(benzimidazol-1-yl)propyl]-2-(4-iodopyrazol-1-yl)acetamide
CID 91956165
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide (CID 47412640) is N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide?
The InChIKey is XTEDAYZLKNVJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(2)20-10-15(19)16-8-5-9-18-11-17-13-6-3-4-7-14(13)18/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,16,19).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide?
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 47412640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).