N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

C14H13N5O2 — CID 115619996

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H13N5O2/c20-13-10-4-2-1-3-9(10)12(18-19-13)14(21)17-6-5-11-15-7-8-16-11/h1-4,7-8H,5-6H2,(H,15,16)(H,17,21)(H,19,20)
InChIKeyAHPPSAPALLUEGU-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.62
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 115619996) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID115619996
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C14H13N5O2/c20-13-10-4-2-1-3-9(10)12(18-19-13)14(21)17-6-5-11-15-7-8-16-11/h1-4,7-8H,5-6H2,(H,15,16)(H,17,21)(H,19,20)
InChIKeyAHPPSAPALLUEGU-UHFFFAOYSA-N
XLogP0.62
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 60968085
N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17418655
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 115620011
1-amino-N-[2-(1H-imidazol-2-yl)ethyl]isoquinoline-4-carboxamide
CID 106772922
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
CID 60517905
4-oxo-N-pent-4-ynyl-3H-phthalazine-1-carboxamide
CID 103708902
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 115619996) is N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is O=C(NCCc1ncc[nH]1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is AHPPSAPALLUEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-13-10-4-2-1-3-9(10)12(18-19-13)14(21)17-6-5-11-15-7-8-16-11/h1-4,7-8H,5-6H2,(H,15,16)(H,17,21)(H,19,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 115619996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).