2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C17H14N4O3 — CID 78769979

IUPAC2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H14N4O3/c1-10(24-13-5-2-11(9-18)3-6-13)16(22)19-12-4-7-14-15(8-12)21-17(23)20-14/h2-8,10H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyLLARRHCHGNPFQX-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 78769979) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID78769979
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H14N4O3/c1-10(24-13-5-2-11(9-18)3-6-13)16(22)19-12-4-7-14-15(8-12)21-17(23)20-14/h2-8,10H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyLLARRHCHGNPFQX-UHFFFAOYSA-N
XLogP2.13
TPSA110.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26700139
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 78769979) is 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is LLARRHCHGNPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-10(24-13-5-2-11(9-18)3-6-13)16(22)19-12-4-7-14-15(8-12)21-17(23)20-14/h2-8,10H,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 322.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 78769979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).