1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine

C27H20N4OS — CID 25031192

IUPAC1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-n2cc(-c3cccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1
InChIInChI=1S/C27H20N4OS/c1-32-23-12-10-22(11-13-23)31-18-24(25-5-3-17-33-25)29-27(31)20-6-8-21(9-7-20)30-16-14-19-4-2-15-28-26(19)30/h2-18H,1H3
InChIKeyZBJOOGNKRDXCQH-UHFFFAOYSA-N
MW448.55 g/mol
LogP6.62
Rot. Bonds5

About 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine

1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 25031192) has the molecular formula C27H20N4OS and a molecular weight of 448.55 g/mol. Its IUPAC name is 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine
PubChem CID25031192
Molecular FormulaC27H20N4OS
Molecular Weight448.55 g/mol
Exact Mass448.14
IUPAC Name1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-n2cc(-c3cccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1
InChIInChI=1S/C27H20N4OS/c1-32-23-12-10-22(11-13-23)31-18-24(25-5-3-17-33-25)29-27(31)20-6-8-21(9-7-20)30-16-14-19-4-2-15-28-26(19)30/h2-18H,1H3
InChIKeyZBJOOGNKRDXCQH-UHFFFAOYSA-N
XLogP6.62
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine (CID 25031192) is 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine is COc1ccc(-n2cc(-c3cccs3)nc2-c2ccc(-n3ccc4cccnc43)cc2)cc1.
What is the InChIKey of 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is ZBJOOGNKRDXCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4OS/c1-32-23-12-10-22(11-13-23)31-18-24(25-5-3-17-33-25)29-27(31)20-6-8-21(9-7-20)30-16-14-19-4-2-15-28-26(19)30/h2-18H,1H3.
What are the key properties of 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine?
1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 448.55 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 25031192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).