2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride

C24H24Cl2N4O2S — CID 51041954

IUPAC2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2sc(-c3ccc(C4=NCCN4)cc3)c3c2OCCO3)ccc1C1=NCCN1
InChIInChI=1S/C24H22N4O2S.2ClH/c1-5-17(23-25-9-10-26-23)6-2-15(1)21-19-20(30-14-13-29-19)22(31-21)16-3-7-18(8-4-16)24-27-11-12-28-24;;/h1-8H,9-14H2,(H,25,26)(H,27,28);2*1H
InChIKeyLXDVMJZLRQFOBA-UHFFFAOYSA-N
MW503.46 g/mol
LogP4.40
Rot. Bonds4

About 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride

2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 51041954) has the molecular formula C24H24Cl2N4O2S and a molecular weight of 503.46 g/mol. Its IUPAC name is 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID51041954
Molecular FormulaC24H24Cl2N4O2S
Molecular Weight503.46 g/mol
Exact Mass502.10
IUPAC Name2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2sc(-c3ccc(C4=NCCN4)cc3)c3c2OCCO3)ccc1C1=NCCN1
InChIInChI=1S/C24H22N4O2S.2ClH/c1-5-17(23-25-9-10-26-23)6-2-15(1)21-19-20(30-14-13-29-19)22(31-21)16-3-7-18(8-4-16)24-27-11-12-28-24;;/h1-8H,9-14H2,(H,25,26)(H,27,28);2*1H
InChIKeyLXDVMJZLRQFOBA-UHFFFAOYSA-N
XLogP4.40
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (CID 51041954) is 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is Cl.Cl.c1cc(-c2sc(-c3ccc(C4=NCCN4)cc3)c3c2OCCO3)ccc1C1=NCCN1.
What is the InChIKey of 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is LXDVMJZLRQFOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S.2ClH/c1-5-17(23-25-9-10-26-23)6-2-15(1)21-19-20(30-14-13-29-19)22(31-21)16-3-7-18(8-4-16)24-27-11-12-28-24;;/h1-8H,9-14H2,(H,25,26)(H,27,28);2*1H.
What are the key properties of 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 503.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 51041954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).