2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one

C18H20N4O — CID 72936950

IUPAC2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1cncn1C1CCCCC1
InChIInChI=1S/C18H20N4O/c23-18-17-9-5-4-6-14(17)10-20-22(18)12-16-11-19-13-21(16)15-7-2-1-3-8-15/h4-6,9-11,13,15H,1-3,7-8,12H2
InChIKeyLKXCQYLYNASOBI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.15
Rot. Bonds3

About 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one

2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one (PubChem CID 72936950) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one
PubChem CID72936950
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1cncn1C1CCCCC1
InChIInChI=1S/C18H20N4O/c23-18-17-9-5-4-6-14(17)10-20-22(18)12-16-11-19-13-21(16)15-7-2-1-3-8-15/h4-6,9-11,13,15H,1-3,7-8,12H2
InChIKeyLKXCQYLYNASOBI-UHFFFAOYSA-N
XLogP3.15
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one?
The IUPAC name of 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one (CID 72936950) is 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one.
What is the SMILES notation for 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one?
The canonical SMILES for 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one is O=c1c2ccccc2cnn1Cc1cncn1C1CCCCC1.
What is the InChIKey of 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one?
The InChIKey is LKXCQYLYNASOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18-17-9-5-4-6-14(17)10-20-22(18)12-16-11-19-13-21(16)15-7-2-1-3-8-15/h4-6,9-11,13,15H,1-3,7-8,12H2.
What are the key properties of 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one?
2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one has a molecular weight of 308.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexylimidazol-4-yl)methyl]phthalazin-1-one is sourced from PubChem (CID 72936950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).