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

C31H19N9OS — CID 141050973

IUPAC2-[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
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3nc4ccccc4[nH]3)c(-c3ncco3)c(-c3nccs3)c2-c2ncc[nH]2)nc1
InChIInChI=1S/C31H19N9OS/c1-2-7-19-18(6-1)39-29(40-19)24-22(27-33-10-5-11-34-27)21(20-8-3-4-9-32-20)23(28-35-12-13-36-28)26(31-38-15-17-42-31)25(24)30-37-14-16-41-30/h1-17H,(H,35,36)(H,39,40)
InChIKeyOJPVJIQSYKDYOS-UHFFFAOYSA-N
MW565.62 g/mol
LogP6.92
Rot. Bonds6

About 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

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 (PubChem CID 141050973) has the molecular formula C31H19N9OS and a molecular weight of 565.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID141050973
Molecular FormulaC31H19N9OS
Molecular Weight565.62 g/mol
Exact Mass565.14
IUPAC Name2-[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
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3nc4ccccc4[nH]3)c(-c3ncco3)c(-c3nccs3)c2-c2ncc[nH]2)nc1
InChIInChI=1S/C31H19N9OS/c1-2-7-19-18(6-1)39-29(40-19)24-22(27-33-10-5-11-34-27)21(20-8-3-4-9-32-20)23(28-35-12-13-36-28)26(31-38-15-17-42-31)25(24)30-37-14-16-41-30/h1-17H,(H,35,36)(H,39,40)
InChIKeyOJPVJIQSYKDYOS-UHFFFAOYSA-N
XLogP6.92
TPSA134.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.62
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-[(3S,5R)-1-acetyl-5-[2-(2-fluorophenyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide
CID 168885372
N-[1-acetyl-5-[2-(2-fluorophenyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide
CID 168885533
N-[(3R,5S)-1-acetyl-5-[2-(2-fluorophenyl)-6-(1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]piperidin-3-yl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide
CID 168885648
N-[5-[2-(2-fluorophenyl)-6-(4-methyl-1,3-oxazol-2-yl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]-1,3-thiazole-2-carboxamide
CID 168886139
2-[8-methyl-3-(7H-purin-6-ylsulfanylmethyl)quinolin-2-yl]-1,3-oxazole
CID 44126366
N-(1H-benzimidazol-2-yl)-6-(1,3-benzothiazol-5-yl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide
CID 60202570
2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole
CID 90687907
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836
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)-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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c(-c3ncccn3)c(-c3nc4ccccc4[nH]3)c(-c3ncco3)c(-c3nccs3)c2-c2ncc[nH]2)nc1.
What is the InChIKey of 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?
The InChIKey is OJPVJIQSYKDYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N9OS/c1-2-7-19-18(6-1)39-29(40-19)24-22(27-33-10-5-11-34-27)21(20-8-3-4-9-32-20)23(28-35-12-13-36-28)26(31-38-15-17-42-31)25(24)30-37-14-16-41-30/h1-17H,(H,35,36)(H,39,40).
What are the key properties of 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?
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 has a molecular weight of 565.62 g/mol, XLogP of 6.92, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141050973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).