methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine

C53H42N10O2S2 — CID 158835917

IUPACmethane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine
SMILESC.COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3cnc4cccnc43)cc2)cc1.COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3cnc4ncccc43)cc2)cc1
InChIInChI=1S/2C26H19N5OS.CH4/c1-32-20-12-8-18(9-13-20)24-23(29-25(30-24)22-5-3-15-33-22)17-6-10-19(11-7-17)31-16-28-21-4-2-14-27-26(21)31;1-32-20-12-8-18(9-13-20)24-23(29-26(30-24)22-5-3-15-33-22)17-6-10-19(11-7-17)31-16-28-25-21(31)4-2-14-27-25;/h2*2-16H,1H3,(H,29,30);1H4
InChIKeyIXQDBWQOSWEIME-UHFFFAOYSA-N
MW915.12 g/mol
LogP13.07
Rot. Bonds10

About methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine

methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine (PubChem CID 158835917) has the molecular formula C53H42N10O2S2 and a molecular weight of 915.12 g/mol. Its IUPAC name is methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Namemethane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine
PubChem CID158835917
Molecular FormulaC53H42N10O2S2
Molecular Weight915.12 g/mol
Exact Mass914.29
IUPAC Namemethane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine
SMILESC.COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3cnc4cccnc43)cc2)cc1.COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3cnc4ncccc43)cc2)cc1
InChIInChI=1S/2C26H19N5OS.CH4/c1-32-20-12-8-18(9-13-20)24-23(29-25(30-24)22-5-3-15-33-22)17-6-10-19(11-7-17)31-16-28-21-4-2-14-27-26(21)31;1-32-20-12-8-18(9-13-20)24-23(29-26(30-24)22-5-3-15-33-22)17-6-10-19(11-7-17)31-16-28-25-21(31)4-2-14-27-25;/h2*2-16H,1H3,(H,29,30);1H4
InChIKeyIXQDBWQOSWEIME-UHFFFAOYSA-N
XLogP13.07
TPSA137.24 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500915.12
LogP ≤ 513.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine (CID 158835917) is methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine is C.COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3cnc4cccnc43)cc2)cc1.COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(-n3cnc4ncccc43)cc2)cc1.
What is the InChIKey of methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine?
The InChIKey is IXQDBWQOSWEIME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H19N5OS.CH4/c1-32-20-12-8-18(9-13-20)24-23(29-25(30-24)22-5-3-15-33-22)17-6-10-19(11-7-17)31-16-28-21-4-2-14-27-26(21)31;1-32-20-12-8-18(9-13-20)24-23(29-26(30-24)22-5-3-15-33-22)17-6-10-19(11-7-17)31-16-28-25-21(31)4-2-14-27-25;/h2*2-16H,1H3,(H,29,30);1H4.
What are the key properties of methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine?
methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine has a molecular weight of 915.12 g/mol, XLogP of 13.07, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine;3-[4-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 158835917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).