N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide

C22H20N4O3 — CID 37425268

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccc(Cn3ccnc3)cc1)C2=O
InChIInChI=1S/C22H20N4O3/c1-15-2-7-18-19(10-15)22(29)26(21(18)28)13-20(27)24-11-16-3-5-17(6-4-16)12-25-9-8-23-14-25/h2-10,14H,11-13H2,1H3,(H,24,27)
InChIKeyFNWPKMWTQYCPFW-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.15
Rot. Bonds6

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 37425268) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID37425268
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccc(Cn3ccnc3)cc1)C2=O
InChIInChI=1S/C22H20N4O3/c1-15-2-7-18-19(10-15)22(29)26(21(18)28)13-20(27)24-11-16-3-5-17(6-4-16)12-25-9-8-23-14-25/h2-10,14H,11-13H2,1H3,(H,24,27)
InChIKeyFNWPKMWTQYCPFW-UHFFFAOYSA-N
XLogP2.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426607
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 113201465
N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 30847840
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 37425808
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30425605
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55852556

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (CID 37425268) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccc(Cn3ccnc3)cc1)C2=O.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is FNWPKMWTQYCPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15-2-7-18-19(10-15)22(29)26(21(18)28)13-20(27)24-11-16-3-5-17(6-4-16)12-25-9-8-23-14-25/h2-10,14H,11-13H2,1H3,(H,24,27).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 37425268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).