2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide

C17H19N5O2 — CID 119063187

IUPAC2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide
SMILESCc1nccn1C(C)C(=O)NCCn1ncc2ccccc2c1=O
InChIInChI=1S/C17H19N5O2/c1-12(21-9-7-18-13(21)2)16(23)19-8-10-22-17(24)15-6-4-3-5-14(15)11-20-22/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,23)
InChIKeyCHJKTHWAFYHUON-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.28
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide

2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide (PubChem CID 119063187) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide
PubChem CID119063187
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide
SMILESCc1nccn1C(C)C(=O)NCCn1ncc2ccccc2c1=O
InChIInChI=1S/C17H19N5O2/c1-12(21-9-7-18-13(21)2)16(23)19-8-10-22-17(24)15-6-4-3-5-14(15)11-20-22/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,23)
InChIKeyCHJKTHWAFYHUON-UHFFFAOYSA-N
XLogP1.28
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide (CID 119063187) is 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide is Cc1nccn1C(C)C(=O)NCCn1ncc2ccccc2c1=O.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide?
The InChIKey is CHJKTHWAFYHUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(21-9-7-18-13(21)2)16(23)19-8-10-22-17(24)15-6-4-3-5-14(15)11-20-22/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,23).
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide?
2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide is sourced from PubChem (CID 119063187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).