7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

C18H13Cl2N3O — CID 138386014

IUPAC7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(-n3ccnc3-c3cc(Cl)ccc3Cl)cc21
InChIInChI=1S/C18H13Cl2N3O/c19-12-2-4-16(20)15(9-12)17-21-7-8-23(17)13-3-1-11-5-6-22-18(24)14(11)10-13/h1-4,7-10H,5-6H2,(H,22,24)
InChIKeyOVYPYMFKHLBIQK-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.13
Rot. Bonds2

About 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 138386014) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID138386014
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2ccc(-n3ccnc3-c3cc(Cl)ccc3Cl)cc21
InChIInChI=1S/C18H13Cl2N3O/c19-12-2-4-16(20)15(9-12)17-21-7-8-23(17)13-3-1-11-5-6-22-18(24)14(11)10-13/h1-4,7-10H,5-6H2,(H,22,24)
InChIKeyOVYPYMFKHLBIQK-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 138386014) is 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2ccc(-n3ccnc3-c3cc(Cl)ccc3Cl)cc21.
What is the InChIKey of 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is OVYPYMFKHLBIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-12-2-4-16(20)15(9-12)17-21-7-8-23(17)13-3-1-11-5-6-22-18(24)14(11)10-13/h1-4,7-10H,5-6H2,(H,22,24).
What are the key properties of 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 358.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 138386014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).