6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride

C25H21Cl2N7S2 — CID 71484566

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride
SMILESCl.Cl.c1cnc(-c2nc3ccc(C4=NCCN4)cc3s2)c(-c2nc3ccc(C4=NCCN4)cc3s2)c1
InChIInChI=1S/C25H19N7S2.2ClH/c1-2-16(24-31-17-5-3-14(12-19(17)33-24)22-27-8-9-28-22)21(26-7-1)25-32-18-6-4-15(13-20(18)34-25)23-29-10-11-30-23;;/h1-7,12-13H,8-11H2,(H,27,28)(H,29,30);2*1H
InChIKeyQPCMPIQEEIXVKZ-UHFFFAOYSA-N
MW554.53 g/mol
LogP5.18
Rot. Bonds4

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride (PubChem CID 71484566) has the molecular formula C25H21Cl2N7S2 and a molecular weight of 554.53 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride
PubChem CID71484566
Molecular FormulaC25H21Cl2N7S2
Molecular Weight554.53 g/mol
Exact Mass553.07
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride
SMILESCl.Cl.c1cnc(-c2nc3ccc(C4=NCCN4)cc3s2)c(-c2nc3ccc(C4=NCCN4)cc3s2)c1
InChIInChI=1S/C25H19N7S2.2ClH/c1-2-16(24-31-17-5-3-14(12-19(17)33-24)22-27-8-9-28-22)21(26-7-1)25-32-18-6-4-15(13-20(18)34-25)23-29-10-11-30-23;;/h1-7,12-13H,8-11H2,(H,27,28)(H,29,30);2*1H
InChIKeyQPCMPIQEEIXVKZ-UHFFFAOYSA-N
XLogP5.18
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride (CID 71484566) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride is Cl.Cl.c1cnc(-c2nc3ccc(C4=NCCN4)cc3s2)c(-c2nc3ccc(C4=NCCN4)cc3s2)c1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride?
The InChIKey is QPCMPIQEEIXVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7S2.2ClH/c1-2-16(24-31-17-5-3-14(12-19(17)33-24)22-27-8-9-28-22)21(26-7-1)25-32-18-6-4-15(13-20(18)34-25)23-29-10-11-30-23;;/h1-7,12-13H,8-11H2,(H,27,28)(H,29,30);2*1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride has a molecular weight of 554.53 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride is sourced from PubChem (CID 71484566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).