2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide

C19H16N4O2 — CID 51098429

IUPAC2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C19H16N4O2/c20-10-14-6-8-16(9-7-14)25-13-19(24)22-12-18-21-11-17(23-18)15-4-2-1-3-5-15/h1-9,11H,12-13H2,(H,21,23)(H,22,24)
InChIKeyPTRAPDNTMCKAGC-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.64
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide

2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide (PubChem CID 51098429) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide
PubChem CID51098429
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C19H16N4O2/c20-10-14-6-8-16(9-7-14)25-13-19(24)22-12-18-21-11-17(23-18)15-4-2-1-3-5-15/h1-9,11H,12-13H2,(H,21,23)(H,22,24)
InChIKeyPTRAPDNTMCKAGC-UHFFFAOYSA-N
XLogP2.64
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884862
2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
CID 34141400
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
2-(4-cyanophenoxy)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62847779
2-(4-cyanophenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384989
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
(2S)-2-[[2-[[2-(4-cyanophenoxy)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694771
3,5-difluoro-N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide
CID 49493945
N-(2-bromoprop-2-enyl)-2-(4-cyanophenoxy)acetamide
CID 113227551
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide (CID 51098429) is 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide is N#Cc1ccc(OCC(=O)NCc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide?
The InChIKey is PTRAPDNTMCKAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-10-14-6-8-16(9-7-14)25-13-19(24)22-12-18-21-11-17(23-18)15-4-2-1-3-5-15/h1-9,11H,12-13H2,(H,21,23)(H,22,24).
What are the key properties of 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide?
2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 51098429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).