N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C24H20N4O2 — CID 99951576

IUPACN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCc1nccn1-c1ccc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C24H20N4O2/c1-16-25-12-13-27(16)19-10-8-17(9-11-19)14-26-22(29)15-28-21-7-3-5-18-4-2-6-20(23(18)21)24(28)30/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyJWQFPWZHQRWVLR-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.61
Rot. Bonds5

About N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 99951576) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID99951576
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCc1nccn1-c1ccc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C24H20N4O2/c1-16-25-12-13-27(16)19-10-8-17(9-11-19)14-26-22(29)15-28-21-7-3-5-18-4-2-6-20(23(18)21)24(28)30/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyJWQFPWZHQRWVLR-UHFFFAOYSA-N
XLogP3.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxobenzo[cd]indol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36543552
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
N-(2-benzylsulfanylethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 2205030
N-[(4-methylphenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide
CID 22553290
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
2-(3,5-dimethylphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92682720
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43876048

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 99951576) is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is Cc1nccn1-c1ccc(CNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is JWQFPWZHQRWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16-25-12-13-27(16)19-10-8-17(9-11-19)14-26-22(29)15-28-21-7-3-5-18-4-2-6-20(23(18)21)24(28)30/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 99951576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).