2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

C23H24N4O2 — CID 166197427

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C23H24N4O2/c1-16(28)27-13-12-17-8-4-5-9-18(17)21(27)14-23(29)25(2)15-22-24-19-10-6-7-11-20(19)26(22)3/h4-13,21H,14-15H2,1-3H3
InChIKeyVNBAGFRGFXLSLS-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.50
Rot. Bonds4

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 166197427) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
PubChem CID166197427
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C23H24N4O2/c1-16(28)27-13-12-17-8-4-5-9-18(17)21(27)14-23(29)25(2)15-22-24-19-10-6-7-11-20(19)26(22)3/h4-13,21H,14-15H2,1-3H3
InChIKeyVNBAGFRGFXLSLS-UHFFFAOYSA-N
XLogP3.50
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide (CID 166197427) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)N(C)Cc1nc2ccccc2n1C.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is VNBAGFRGFXLSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16(28)27-13-12-17-8-4-5-9-18(17)21(27)14-23(29)25(2)15-22-24-19-10-6-7-11-20(19)26(22)3/h4-13,21H,14-15H2,1-3H3.
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 166197427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).