N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C23H23N5O4 — CID 47015012

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1cc(OC)cc(C(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2nccn2C)c1
InChIInChI=1S/C23H23N5O4/c1-28-9-8-24-22(28)21(14-10-15(31-2)12-16(11-14)32-3)25-20(29)13-19-17-6-4-5-7-18(17)23(30)27-26-19/h4-12,21H,13H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyDSJIYGVAERPRGE-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.12
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 47015012) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID47015012
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOc1cc(OC)cc(C(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2nccn2C)c1
InChIInChI=1S/C23H23N5O4/c1-28-9-8-24-22(28)21(14-10-15(31-2)12-16(11-14)32-3)25-20(29)13-19-17-6-4-5-7-18(17)23(30)27-26-19/h4-12,21H,13H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyDSJIYGVAERPRGE-UHFFFAOYSA-N
XLogP2.12
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 51273501
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-yloxypropanamide
CID 42951989
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 75897663
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564382
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31356926
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 47015012) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is COc1cc(OC)cc(C(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is DSJIYGVAERPRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-28-9-8-24-22(28)21(14-10-15(31-2)12-16(11-14)32-3)25-20(29)13-19-17-6-4-5-7-18(17)23(30)27-26-19/h4-12,21H,13H2,1-3H3,(H,25,29)(H,27,30).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 433.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 47015012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).