N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide

C12H10N4O — CID 110684247

IUPACN-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1cnc[nH]1
InChIInChI=1S/C12H10N4O/c13-6-9-3-1-2-4-11(9)16-12(17)5-10-7-14-8-15-10/h1-4,7-8H,5H2,(H,14,15)(H,16,17)
InChIKeyOQDUAEOUMWHKOL-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.46
Rot. Bonds3

About N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide

N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide (PubChem CID 110684247) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide
PubChem CID110684247
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1cnc[nH]1
InChIInChI=1S/C12H10N4O/c13-6-9-3-1-2-4-11(9)16-12(17)5-10-7-14-8-15-10/h1-4,7-8H,5H2,(H,14,15)(H,16,17)
InChIKeyOQDUAEOUMWHKOL-UHFFFAOYSA-N
XLogP1.46
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-5-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110684152
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296
N-(2,6-diethylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684155
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686435
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide
CID 41340467
2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
CID 110864641

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide (CID 110684247) is N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide is N#Cc1ccccc1NC(=O)Cc1cnc[nH]1.
What is the InChIKey of N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is OQDUAEOUMWHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-6-9-3-1-2-4-11(9)16-12(17)5-10-7-14-8-15-10/h1-4,7-8H,5H2,(H,14,15)(H,16,17).
What are the key properties of N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide?
N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 110684247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).