5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole

C29H23N3O2S — CID 25031286

IUPAC5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3ccc4cc(OC)ccc43)cc2)cc1
InChIInChI=1S/C29H23N3O2S/c1-33-23-11-7-20(8-12-23)28-27(30-29(31-28)26-4-3-17-35-26)19-5-9-22(10-6-19)32-16-15-21-18-24(34-2)13-14-25(21)32/h3-18H,1-2H3,(H,30,31)
InChIKeyPKCUULZRCXEJCA-UHFFFAOYSA-N
MW477.59 g/mol
LogP7.43
Rot. Bonds6

About 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole

5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole (PubChem CID 25031286) has the molecular formula C29H23N3O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole.

Molecular Properties

Compound Name5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole
PubChem CID25031286
Molecular FormulaC29H23N3O2S
Molecular Weight477.59 g/mol
Exact Mass477.15
IUPAC Name5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole
SMILESCOc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3ccc4cc(OC)ccc43)cc2)cc1
InChIInChI=1S/C29H23N3O2S/c1-33-23-11-7-20(8-12-23)28-27(30-29(31-28)26-4-3-17-35-26)19-5-9-22(10-6-19)32-16-15-21-18-24(34-2)13-14-25(21)32/h3-18H,1-2H3,(H,30,31)
InChIKeyPKCUULZRCXEJCA-UHFFFAOYSA-N
XLogP7.43
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole?
The IUPAC name of 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole (CID 25031286) is 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole.
What is the SMILES notation for 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole?
The canonical SMILES for 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole is COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3ccc4cc(OC)ccc43)cc2)cc1.
What is the InChIKey of 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole?
The InChIKey is PKCUULZRCXEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O2S/c1-33-23-11-7-20(8-12-23)28-27(30-29(31-28)26-4-3-17-35-26)19-5-9-22(10-6-19)32-16-15-21-18-24(34-2)13-14-25(21)32/h3-18H,1-2H3,(H,30,31).
What are the key properties of 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole?
5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole has a molecular weight of 477.59 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]indole is sourced from PubChem (CID 25031286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).