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

C29H23N11OS — CID 141050941

IUPAC2-[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
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c(-c3ncco3)c3c2nc(-c2ncccn2)n3N2CCNCC2)nc1
InChIInChI=1S/C29H23N11OS/c1-2-5-31-18(4-1)19-20(25-34-8-9-35-25)21(29-37-13-17-42-29)22(28-36-12-16-41-28)24-23(19)38-27(26-32-6-3-7-33-26)40(24)39-14-10-30-11-15-39/h1-9,12-13,16-17,30H,10-11,14-15H2,(H,34,35)
InChIKeyHVIQIVYLBXIFQS-UHFFFAOYSA-N
MW573.65 g/mol
LogP4.27
Rot. Bonds6

About 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

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 (PubChem CID 141050941) has the molecular formula C29H23N11OS and a molecular weight of 573.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141050941
Molecular FormulaC29H23N11OS
Molecular Weight573.65 g/mol
Exact Mass573.18
IUPAC Name2-[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
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c(-c3ncco3)c3c2nc(-c2ncccn2)n3N2CCNCC2)nc1
InChIInChI=1S/C29H23N11OS/c1-2-5-31-18(4-1)19-20(25-34-8-9-35-25)21(29-37-13-17-42-29)22(28-36-12-16-41-28)24-23(19)38-27(26-32-6-3-7-33-26)40(24)39-14-10-30-11-15-39/h1-9,12-13,16-17,30H,10-11,14-15H2,(H,34,35)
InChIKeyHVIQIVYLBXIFQS-UHFFFAOYSA-N
XLogP4.27
TPSA139.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.65
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole
CID 90687907
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
2-[2-isoquinolin-1-yl-7-pyridin-2-yl-6-pyrimidin-2-yl-4-quinolin-2-yl-1-(1,3-thiazol-2-yl)-5-(triazin-4-yl)-2H-quinazolin-8-yl]-1,3-oxazole
CID 140994191
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
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-[6-(furan-2-yl)-8-(1H-imidazol-2-yl)-2-pyridazin-3-yl-1-quinolin-2-yl-5-(1,3-thiazol-2-yl)-7-thiophen-2-yl-1-(triazin-4-yl)-3-(1H-triazol-4-yl)isoquinolin-4-yl]-1,3-oxazole
CID 141367252
CID 158580245
CID 158580245
CID 159014548
CID 159014548
1-[6-(2-aminopyrimidin-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-[6-(2-aminopyrimidin-5-yl)-4-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-[4-(5-methyl-1,3-oxazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 160655648
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[4-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[5-(1,3-oxazol-2-yl)-2-pyridinyl]imidazole-4-carboxamide;3-(1H-benzimidazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide;5-methyl-N-[1-oxo-3-(4-prop-2-enoxyphenyl)propan-2-yl]-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-2-phenyl-1H-benzimidazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 161256010

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c(-c3ncco3)c3c2nc(-c2ncccn2)n3N2CCNCC2)nc1.
What is the InChIKey of 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?
The InChIKey is HVIQIVYLBXIFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N11OS/c1-2-5-31-18(4-1)19-20(25-34-8-9-35-25)21(29-37-13-17-42-29)22(28-36-12-16-41-28)24-23(19)38-27(26-32-6-3-7-33-26)40(24)39-14-10-30-11-15-39/h1-9,12-13,16-17,30H,10-11,14-15H2,(H,34,35).
What are the key properties of 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?
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 has a molecular weight of 573.65 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141050941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).