N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide

C14H14N4O2 — CID 134114036

IUPACN-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)n(C)c2C#N)cc1
InChIInChI=1S/C14H14N4O2/c1-9-16-13(12(8-15)18(9)2)17-14(19)10-4-6-11(20-3)7-5-10/h4-7H,1-3H3,(H,17,19)
InChIKeyOTCLAQWIMRERPG-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.86
Rot. Bonds3

About N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide

N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide (PubChem CID 134114036) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide
PubChem CID134114036
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)n(C)c2C#N)cc1
InChIInChI=1S/C14H14N4O2/c1-9-16-13(12(8-15)18(9)2)17-14(19)10-4-6-11(20-3)7-5-10/h4-7H,1-3H3,(H,17,19)
InChIKeyOTCLAQWIMRERPG-UHFFFAOYSA-N
XLogP1.86
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 71943624
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
4-methoxy-N-[1-(4-methoxybenzoyl)pyrrol-2-yl]benzamide
CID 132933726
ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate
CID 174550540
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-4-methoxybenzamide
CID 41432856
N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide
CID 172597021
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[1-cyano-2-fluoro-1-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 150960952

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide (CID 134114036) is N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(C)n(C)c2C#N)cc1.
What is the InChIKey of N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide?
The InChIKey is OTCLAQWIMRERPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-16-13(12(8-15)18(9)2)17-14(19)10-4-6-11(20-3)7-5-10/h4-7H,1-3H3,(H,17,19).
What are the key properties of N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide?
N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide has a molecular weight of 270.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,2-dimethylimidazol-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 134114036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).