(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one

C34H28N6O2S2 — CID 88898974

IUPAC(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
SMILESCCCC(SC1=N/C(=C\c2ccccn2)C(=O)N1c1ccccc1)SC1=N/C(=C\c2ccccn2)C(=O)N1c1ccccc1
InChIInChI=1S/C34H28N6O2S2/c1-2-13-30(43-33-37-28(22-24-14-9-11-20-35-24)31(41)39(33)26-16-5-3-6-17-26)44-34-38-29(23-25-15-10-12-21-36-25)32(42)40(34)27-18-7-4-8-19-27/h3-12,14-23,30H,2,13H2,1H3/b28-22-,29-23-
InChIKeyZQOXAXXZUNMFAT-UNVYMFJTSA-N
MW616.77 g/mol
LogP7.26
Rot. Bonds8

About (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one

(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one (PubChem CID 88898974) has the molecular formula C34H28N6O2S2 and a molecular weight of 616.77 g/mol. Its IUPAC name is (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
PubChem CID88898974
Molecular FormulaC34H28N6O2S2
Molecular Weight616.77 g/mol
Exact Mass616.17
IUPAC Name(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
SMILESCCCC(SC1=N/C(=C\c2ccccn2)C(=O)N1c1ccccc1)SC1=N/C(=C\c2ccccn2)C(=O)N1c1ccccc1
InChIInChI=1S/C34H28N6O2S2/c1-2-13-30(43-33-37-28(22-24-14-9-11-20-35-24)31(41)39(33)26-16-5-3-6-17-26)44-34-38-29(23-25-15-10-12-21-36-25)32(42)40(34)27-18-7-4-8-19-27/h3-12,14-23,30H,2,13H2,1H3/b28-22-,29-23-
InChIKeyZQOXAXXZUNMFAT-UNVYMFJTSA-N
XLogP7.26
TPSA91.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one (CID 88898974) is (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one is CCCC(SC1=N/C(=C\c2ccccn2)C(=O)N1c1ccccc1)SC1=N/C(=C\c2ccccn2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one?
The InChIKey is ZQOXAXXZUNMFAT-UNVYMFJTSA-N. The full InChI is InChI=1S/C34H28N6O2S2/c1-2-13-30(43-33-37-28(22-24-14-9-11-20-35-24)31(41)39(33)26-16-5-3-6-17-26)44-34-38-29(23-25-15-10-12-21-36-25)32(42)40(34)27-18-7-4-8-19-27/h3-12,14-23,30H,2,13H2,1H3/b28-22-,29-23-.
What are the key properties of (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one?
(5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one has a molecular weight of 616.77 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[1-[(4Z)-5-oxo-1-phenyl-4-(pyridin-2-ylmethylidene)imidazol-2-yl]sulfanylbutylsulfanyl]-3-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 88898974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).