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 dichloride

C24H26Cl2N4S — CID 90680396

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 dichloride
SMILESCC1C[NH+]=C(c2ccc(-c3ccc(-c4ccc(C5=[NH+]CC(C)N5)cc4)s3)cc2)N1.[Cl-].[Cl-]
InChIInChI=1S/C24H24N4S.2ClH/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);2*1H
InChIKeyXGZFQKAJVVVIAQ-UHFFFAOYSA-N
MW473.47 g/mol
LogP-5.27
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 dichloride

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 dichloride (PubChem CID 90680396) has the molecular formula C24H26Cl2N4S and a molecular weight of 473.47 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 dichloride.

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 dichloride
PubChem CID90680396
Molecular FormulaC24H26Cl2N4S
Molecular Weight473.47 g/mol
Exact Mass472.13
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 dichloride
SMILESCC1C[NH+]=C(c2ccc(-c3ccc(-c4ccc(C5=[NH+]CC(C)N5)cc4)s3)cc2)N1.[Cl-].[Cl-]
InChIInChI=1S/C24H24N4S.2ClH/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);2*1H
InChIKeyXGZFQKAJVVVIAQ-UHFFFAOYSA-N
XLogP-5.27
TPSA52.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 5-5.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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 dichloride?
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 dichloride (CID 90680396) 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 dichloride.
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 dichloride?
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 dichloride is CC1C[NH+]=C(c2ccc(-c3ccc(-c4ccc(C5=[NH+]CC(C)N5)cc4)s3)cc2)N1.[Cl-].[Cl-].
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 dichloride?
The InChIKey is XGZFQKAJVVVIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S.2ClH/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);2*1H.
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 dichloride?
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 dichloride has a molecular weight of 473.47 g/mol, XLogP of -5.27, 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 dichloride is sourced from PubChem (CID 90680396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).