5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium

C24H26N4S+2 — CID 90683514

IUPAC5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium
SMILESCC1C[NH+]=C(c2ccc(-c3ccc(-c4ccc(C5=[NH+]CC(C)N5)cc4)s3)cc2)N1
InChIInChI=1S/C24H24N4S/c1-15-13-25-23(27-15)19-7-3-17(4-8-19)21-11-12-22(29-21)18-5-9-20(10-6-18)24-26-14-16(2)28-24/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,26,28)/p+2
InChIKeyFYWYWTFGPALOTO-UHFFFAOYSA-P
MW402.57 g/mol
LogP0.72
Rot. Bonds4

About 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium

5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium (PubChem CID 90683514) has the molecular formula C24H26N4S+2 and a molecular weight of 402.57 g/mol. Its IUPAC name is 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium.

Molecular Properties

Compound Name5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium
PubChem CID90683514
Molecular FormulaC24H26N4S+2
Molecular Weight402.57 g/mol
Exact Mass402.19
IUPAC Name5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium
SMILESCC1C[NH+]=C(c2ccc(-c3ccc(-c4ccc(C5=[NH+]CC(C)N5)cc4)s3)cc2)N1
InChIInChI=1S/C24H24N4S/c1-15-13-25-23(27-15)19-7-3-17(4-8-19)21-11-12-22(29-21)18-5-9-20(10-6-18)24-26-14-16(2)28-24/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,26,28)/p+2
InChIKeyFYWYWTFGPALOTO-UHFFFAOYSA-P
XLogP0.72
TPSA52.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium?
The IUPAC name of 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium (CID 90683514) is 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium.
What is the SMILES notation for 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium?
The canonical SMILES for 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium is CC1C[NH+]=C(c2ccc(-c3ccc(-c4ccc(C5=[NH+]CC(C)N5)cc4)s3)cc2)N1.
What is the InChIKey of 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium?
The InChIKey is FYWYWTFGPALOTO-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H24N4S/c1-15-13-25-23(27-15)19-7-3-17(4-8-19)21-11-12-22(29-21)18-5-9-20(10-6-18)24-26-14-16(2)28-24/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,26,28)/p+2.
What are the key properties of 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium?
5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium has a molecular weight of 402.57 g/mol, XLogP of 0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[5-[4-(5-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)phenyl]thiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazol-3-ium is sourced from PubChem (CID 90683514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).