2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide

C18H24N4O — CID 91829015

IUPAC2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide
SMILESCCc1nccn1CC(=O)NCC1Cc2ccccc2CN1C
InChIInChI=1S/C18H24N4O/c1-3-17-19-8-9-22(17)13-18(23)20-11-16-10-14-6-4-5-7-15(14)12-21(16)2/h4-9,16H,3,10-13H2,1-2H3,(H,20,23)
InChIKeyGFJYZLKZPQYEQF-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide

2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide (PubChem CID 91829015) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide
PubChem CID91829015
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide
SMILESCCc1nccn1CC(=O)NCC1Cc2ccccc2CN1C
InChIInChI=1S/C18H24N4O/c1-3-17-19-8-9-22(17)13-18(23)20-11-16-10-14-6-4-5-7-15(14)12-21(16)2/h4-9,16H,3,10-13H2,1-2H3,(H,20,23)
InChIKeyGFJYZLKZPQYEQF-UHFFFAOYSA-N
XLogP1.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide (CID 91829015) is 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide is CCc1nccn1CC(=O)NCC1Cc2ccccc2CN1C.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide?
The InChIKey is GFJYZLKZPQYEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-17-19-8-9-22(17)13-18(23)20-11-16-10-14-6-4-5-7-15(14)12-21(16)2/h4-9,16H,3,10-13H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide?
2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide has a molecular weight of 312.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 91829015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).