(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide

C20H20N4O2 — CID 40718916

IUPAC(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C20H20N4O2/c1-15(26-17-9-7-16(13-21)8-10-17)20(25)22-11-4-12-24-14-23-18-5-2-3-6-19(18)24/h2-3,5-10,14-15H,4,11-12H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyRDISLLLDFODDKU-OAHLLOKOSA-N
MW348.41 g/mol
LogP2.88
Rot. Bonds7

About (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide

(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide (PubChem CID 40718916) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide
PubChem CID40718916
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C20H20N4O2/c1-15(26-17-9-7-16(13-21)8-10-17)20(25)22-11-4-12-24-14-23-18-5-2-3-6-19(18)24/h2-3,5-10,14-15H,4,11-12H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyRDISLLLDFODDKU-OAHLLOKOSA-N
XLogP2.88
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 46577048
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 43010252
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 75866987
4-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methoxybutanamide;dihydrochloride
CID 120594808
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
CID 23512668

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide?
The IUPAC name of (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide (CID 40718916) is (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide?
The InChIKey is RDISLLLDFODDKU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15(26-17-9-7-16(13-21)8-10-17)20(25)22-11-4-12-24-14-23-18-5-2-3-6-19(18)24/h2-3,5-10,14-15H,4,11-12H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide?
(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 40718916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).