N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide

C15H16N4O — CID 61069381

IUPACN-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
SMILESCN(CCC#N)C(=O)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C15H16N4O/c1-18(10-5-8-16)14(20)12-19-11-9-17-15(19)13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,10,12H2,1H3
InChIKeyAAZOCPBUSNLIDF-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.92
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide

N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide (PubChem CID 61069381) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
PubChem CID61069381
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
SMILESCN(CCC#N)C(=O)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C15H16N4O/c1-18(10-5-8-16)14(20)12-19-11-9-17-15(19)13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,10,12H2,1H3
InChIKeyAAZOCPBUSNLIDF-UHFFFAOYSA-N
XLogP1.92
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide
CID 61070466
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 55152553
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61225137
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 7625453
N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide
CID 62880165
N-methyl-2-(2-phenylimidazol-1-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]acetamide
CID 72916321
N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796847
2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 55139509

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide (CID 61069381) is N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide is CN(CCC#N)C(=O)Cn1ccnc1-c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide?
The InChIKey is AAZOCPBUSNLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-18(10-5-8-16)14(20)12-19-11-9-17-15(19)13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,10,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 61069381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).