N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide

C20H20Cl2N4O — CID 142248514

About N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide

N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide (PubChem CID 142248514) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide
• PubChem CID: 142248514
• Molecular Formula: C20H20Cl2N4O
• Molecular Weight: 403.31 g/mol
• Exact Mass: 402.10
• IUPAC Name: N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide
• SMILES: CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)C3=CNCN3)c2)C1
• InChI: InChI=1S/C20H20Cl2N4O/c1-26-9-16(15-6-13(21)7-18(22)17(15)10-26)12-3-2-4-14(5-12)25-20(27)19-8-23-11-24-19/h2-8,16,23-24H,9-11H2,1H3,(H,25,27)
• InChIKey: ZMOOJCQSPXENQQ-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 56.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.31
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide?

The IUPAC name of N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide (CID 142248514) is N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide.

What is the SMILES notation for N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide?

The canonical SMILES for N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide is CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)C3=CNCN3)c2)C1.

What is the InChIKey of N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide?

The InChIKey is ZMOOJCQSPXENQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-26-9-16(15-6-13(21)7-18(22)17(15)10-26)12-3-2-4-14(5-12)25-20(27)19-8-23-11-24-19/h2-8,16,23-24H,9-11H2,1H3,(H,25,27).

What are the key properties of N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide?

N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,3-dihydro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 142248514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).