N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C21H19N5O2 — CID 9115423

IUPACN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H19N5O2/c1-14(15-6-8-16(9-7-15)26-11-10-22-13-26)23-20(27)12-19-17-4-2-3-5-18(17)21(28)25-24-19/h2-11,13-14H,12H2,1H3,(H,23,27)(H,25,28)/t14-/m1/s1
InChIKeyZXAXPCFOTBPBNB-CQSZACIVSA-N
MW373.42 g/mol
LogP2.53
Rot. Bonds5

About N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 9115423) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID9115423
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H19N5O2/c1-14(15-6-8-16(9-7-15)26-11-10-22-13-26)23-20(27)12-19-17-4-2-3-5-18(17)21(28)25-24-19/h2-11,13-14H,12H2,1H3,(H,23,27)(H,25,28)/t14-/m1/s1
InChIKeyZXAXPCFOTBPBNB-CQSZACIVSA-N
XLogP2.53
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 93234966
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 27812010
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 25351535
2-(2-fluorophenoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 17498298
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46432138

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 9115423) is N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ZXAXPCFOTBPBNB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14(15-6-8-16(9-7-15)26-11-10-22-13-26)23-20(27)12-19-17-4-2-3-5-18(17)21(28)25-24-19/h2-11,13-14H,12H2,1H3,(H,23,27)(H,25,28)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 9115423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).