N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide

C17H14N4O2 — CID 46596655

IUPACN-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H14N4O2/c1-11(23-15-9-5-2-6-12(15)10-18)16(22)21-17-19-13-7-3-4-8-14(13)20-17/h2-9,11H,1H3,(H2,19,20,21,22)
InChIKeyFBDGCJFAOYNBJT-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.84
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide

N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide (PubChem CID 46596655) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide
PubChem CID46596655
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H14N4O2/c1-11(23-15-9-5-2-6-12(15)10-18)16(22)21-17-19-13-7-3-4-8-14(13)20-17/h2-9,11H,1H3,(H2,19,20,21,22)
InChIKeyFBDGCJFAOYNBJT-UHFFFAOYSA-N
XLogP2.84
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenoxy)propanamide
CID 2089424
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
2-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 97063057
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2R)-2-acetamido-N-(1H-benzimidazol-2-yl)-3-methylbutanamide
CID 27649319
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 60592703

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide (CID 46596655) is N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide is CC(Oc1ccccc1C#N)C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide?
The InChIKey is FBDGCJFAOYNBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11(23-15-9-5-2-6-12(15)10-18)16(22)21-17-19-13-7-3-4-8-14(13)20-17/h2-9,11H,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide?
N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide has a molecular weight of 306.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(2-cyanophenoxy)propanamide is sourced from PubChem (CID 46596655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).