N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide

C18H19N5O — CID 154821834

IUPACN-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide
SMILESCCNC(=O)c1cccc(-n2ccnc2-c2ccnc(CC)n2)c1
InChIInChI=1S/C18H19N5O/c1-3-16-20-9-8-15(22-16)17-21-10-11-23(17)14-7-5-6-13(12-14)18(24)19-4-2/h5-12H,3-4H2,1-2H3,(H,19,24)
InChIKeyAHSRQIBJYZOESM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.64
Rot. Bonds5

About N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide

N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide (PubChem CID 154821834) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide
PubChem CID154821834
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide
SMILESCCNC(=O)c1cccc(-n2ccnc2-c2ccnc(CC)n2)c1
InChIInChI=1S/C18H19N5O/c1-3-16-20-9-8-15(22-16)17-21-10-11-23(17)14-7-5-6-13(12-14)18(24)19-4-2/h5-12H,3-4H2,1-2H3,(H,19,24)
InChIKeyAHSRQIBJYZOESM-UHFFFAOYSA-N
XLogP2.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
3-amino-N-ethyl-4-(2-ethylimidazol-1-yl)benzamide
CID 82999412
3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide
CID 173087586
1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
CID 70972162
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-(2-methylsulfonylimidazol-1-yl)benzamide
CID 119099381
N,2,3-triethylquinoxaline-6-carboxamide
CID 22588073
N-ethyl-3-hydroxybenzamide
CID 13175248
N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 9200888
2-[3-(2-methylimidazol-1-yl)phenyl]-2-oxoacetic acid
CID 117332176
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 87037186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide?
The IUPAC name of N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide (CID 154821834) is N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide.
What is the SMILES notation for N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide?
The canonical SMILES for N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide is CCNC(=O)c1cccc(-n2ccnc2-c2ccnc(CC)n2)c1.
What is the InChIKey of N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide?
The InChIKey is AHSRQIBJYZOESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-16-20-9-8-15(22-16)17-21-10-11-23(17)14-7-5-6-13(12-14)18(24)19-4-2/h5-12H,3-4H2,1-2H3,(H,19,24).
What are the key properties of N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide?
N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(2-ethylpyrimidin-4-yl)imidazol-1-yl]benzamide is sourced from PubChem (CID 154821834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).