2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole

C29H17N9OS2 — CID 141050931

IUPAC2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c(-c3ncco3)c3c2nc(-c2ncccn2)n3-c2cccs2)nc1
InChIInChI=1S/C29H17N9OS2/c1-2-7-30-17(5-1)19-20(25-33-10-11-34-25)21(29-36-13-16-41-29)22(28-35-12-14-39-28)24-23(19)37-27(26-31-8-4-9-32-26)38(24)18-6-3-15-40-18/h1-16H,(H,33,34)
InChIKeySQSZOSAFWAVSOK-UHFFFAOYSA-N
MW571.65 g/mol
LogP6.77
Rot. Bonds6

About 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole

2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole (PubChem CID 141050931) has the molecular formula C29H17N9OS2 and a molecular weight of 571.65 g/mol. Its IUPAC name is 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole
PubChem CID141050931
Molecular FormulaC29H17N9OS2
Molecular Weight571.65 g/mol
Exact Mass571.10
IUPAC Name2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c(-c3ncco3)c3c2nc(-c2ncccn2)n3-c2cccs2)nc1
InChIInChI=1S/C29H17N9OS2/c1-2-7-30-17(5-1)19-20(25-33-10-11-34-25)21(29-36-13-16-41-29)22(28-35-12-14-39-28)24-23(19)37-27(26-31-8-4-9-32-26)38(24)18-6-3-15-40-18/h1-16H,(H,33,34)
InChIKeySQSZOSAFWAVSOK-UHFFFAOYSA-N
XLogP6.77
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500571.65
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole with MolForge

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Related Compounds

N-(1H-benzimidazol-2-yl)-6-(1,3-benzothiazol-5-yl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide
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2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole
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2-[9-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-8-isoquinolin-1-yl-4-(7H-purin-2-yl)phenazin-2-yl]-1,3-benzoxazole
CID 140988242
2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole
CID 141008273
2-[6-(1H-imidazol-2-yl)-3-piperazin-1-yl-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)benzimidazol-4-yl]-1,3-oxazole
CID 141050941
2-[2-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-6-(1,3-thiazol-2-yl)phenyl]-1,3-oxazole
CID 141050973
2-[7-(2,3-Dihydroindol-1-yl)-6-(1,2-oxazol-3-yl)-3-pyrazin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)quinolin-5-yl]-1,3-oxazole
CID 141071927
2-[2-(1H-imidazol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrrol-3-yl]-1,3-oxazole
CID 141081867
2-[5-(1H-benzimidazol-2-yl)-7-(furan-2-yl)-6-(1H-imidazol-2-yl)-1-pyridin-2-yl-4-pyrimidin-2-yl-3-thiophen-2-ylindol-2-yl]quinoline
CID 141084873
2-[6-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-inden-1-yl)-1-(1,2-oxazol-3-yl)-7-(1H-pyrrol-2-yl)-5-thiophen-2-yl-9H-carbazol-2-yl]-1,3-oxazole
CID 141155828
2-[4-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-6-(1H-imidazol-2-yl)-1-phenylsulfanyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]-1,3-oxazole
CID 141195186
2-[2-(1-benzofuran-2-yl)-5-(furan-2-yl)-7-(1H-imidazol-2-yl)-6-pyridin-2-yl-4-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)-1,3-benzothiazol-1-yl]-1,3-oxazole
CID 141212886

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole (CID 141050931) is 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole is c1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c(-c3ncco3)c3c2nc(-c2ncccn2)n3-c2cccs2)nc1.
What is the InChIKey of 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole?
The InChIKey is SQSZOSAFWAVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N9OS2/c1-2-7-30-17(5-1)19-20(25-33-10-11-34-25)21(29-36-13-16-41-29)22(28-35-12-14-39-28)24-23(19)37-27(26-31-8-4-9-32-26)38(24)18-6-3-15-40-18/h1-16H,(H,33,34).
What are the key properties of 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole?
2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole has a molecular weight of 571.65 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-imidazol-2-yl)-7-pyridin-2-yl-2-pyrimidin-2-yl-5-(1,3-thiazol-2-yl)-3-thiophen-2-ylbenzimidazol-4-yl]-1,3-oxazole is sourced from PubChem (CID 141050931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).