(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide

C16H15N3O2 — CID 95147655

IUPAC(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(-n2cnc3ccccc32)c1)C(N)=O
InChIInChI=1S/C16H15N3O2/c1-11(16(17)20)21-13-6-4-5-12(9-13)19-10-18-14-7-2-3-8-15(14)19/h2-11H,1H3,(H2,17,20)/t11-/m0/s1
InChIKeyRUCZNJWWGXRNEQ-NSHDSACASA-N
MW281.32 g/mol
LogP2.28
Rot. Bonds4

About (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide

(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide (PubChem CID 95147655) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide
PubChem CID95147655
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(-n2cnc3ccccc32)c1)C(N)=O
InChIInChI=1S/C16H15N3O2/c1-11(16(17)20)21-13-6-4-5-12(9-13)19-10-18-14-7-2-3-8-15(14)19/h2-11H,1H3,(H2,17,20)/t11-/m0/s1
InChIKeyRUCZNJWWGXRNEQ-NSHDSACASA-N
XLogP2.28
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 4-(benzimidazol-1-yl)benzoate
CID 40681031
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
CID 149192166
CID 149192166
2-(3-aminophenoxy)propanamide
CID 43115971
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 50970159
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
CID 123739580
2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide (CID 95147655) is (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide is C[C@H](Oc1cccc(-n2cnc3ccccc32)c1)C(N)=O.
What is the InChIKey of (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide?
The InChIKey is RUCZNJWWGXRNEQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11(16(17)20)21-13-6-4-5-12(9-13)19-10-18-14-7-2-3-8-15(14)19/h2-11H,1H3,(H2,17,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide?
(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide has a molecular weight of 281.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 95147655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).