5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one

C63H59Br2N15O6 — CID 162263281

IUPAC5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)n1c(-c2ccccc2-c2n[nH]c(=O)o2)nc2cc(Br)ccc21.Cn1nc(-c2ccccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)oc1=O.Cn1nc(-c2ccccc2-c2nc3cc(Br)ccc3n2C(C)(C)C)oc1=O
InChIInChI=1S/C24H23N7O2.C20H19BrN4O2.C19H17BrN4O2/c1-24(2,3)31-19-10-9-14(15-12-26-22(25)27-13-15)11-18(19)28-20(31)16-7-5-6-8-17(16)21-29-30(4)23(32)33-21;1-20(2,3)25-16-10-9-12(21)11-15(16)22-17(25)13-7-5-6-8-14(13)18-23-24(4)19(26)27-18;1-19(2,3)24-15-9-8-11(20)10-14(15)21-16(24)12-6-4-5-7-13(12)17-22-23-18(25)26-17/h5-13H,1-4H3,(H2,25,26,27);5-11H,1-4H3;4-10H,1-3H3,(H,23,25)
InChIKeyZZNYAYQNGNGDQT-UHFFFAOYSA-N
MW1282.07 g/mol
LogP12.99
Rot. Bonds7

About 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 162263281) has the molecular formula C63H59Br2N15O6 and a molecular weight of 1282.07 g/mol. Its IUPAC name is 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID162263281
Molecular FormulaC63H59Br2N15O6
Molecular Weight1282.07 g/mol
Exact Mass1279.31
IUPAC Name5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)n1c(-c2ccccc2-c2n[nH]c(=O)o2)nc2cc(Br)ccc21.Cn1nc(-c2ccccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)oc1=O.Cn1nc(-c2ccccc2-c2nc3cc(Br)ccc3n2C(C)(C)C)oc1=O
InChIInChI=1S/C24H23N7O2.C20H19BrN4O2.C19H17BrN4O2/c1-24(2,3)31-19-10-9-14(15-12-26-22(25)27-13-15)11-18(19)28-20(31)16-7-5-6-8-17(16)21-29-30(4)23(32)33-21;1-20(2,3)25-16-10-9-12(21)11-15(16)22-17(25)13-7-5-6-8-14(13)18-23-24(4)19(26)27-18;1-19(2,3)24-15-9-8-11(20)10-14(15)21-16(24)12-6-4-5-7-13(12)17-22-23-18(25)26-17/h5-13H,1-4H3,(H2,25,26,27);5-11H,1-4H3;4-10H,1-3H3,(H,23,25)
InChIKeyZZNYAYQNGNGDQT-UHFFFAOYSA-N
XLogP12.99
TPSA260.21 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001282.07
LogP ≤ 512.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-{2-[5-(2-Amino-pyrimidin-5-yl)-1-tert-butyl-1H-benzimidazol-2-yl]-phenyl}-3-methyl-3H-[1,3,4]oxadiazol-2-one
CID 58541887
5-{2-[5-(2-Amino-pyrimidin-5-yl)-1-tert-butyl-1H-benzimidazol-2-yl]-phenyl}-3H-[1,3,4]oxadiazol-2-one
CID 58541903
5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3H-1,3,4-oxadiazol-2-one;2-(5-bromo-1-tert-butylbenzimidazol-2-yl)benzohydrazide;2-(5-bromo-1-tert-butylbenzimidazol-2-yl)benzoic acid;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 161201396

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 162263281) is 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one is CC(C)(C)n1c(-c2ccccc2-c2n[nH]c(=O)o2)nc2cc(Br)ccc21.Cn1nc(-c2ccccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)oc1=O.Cn1nc(-c2ccccc2-c2nc3cc(Br)ccc3n2C(C)(C)C)oc1=O.
What is the InChIKey of 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is ZZNYAYQNGNGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2.C20H19BrN4O2.C19H17BrN4O2/c1-24(2,3)31-19-10-9-14(15-12-26-22(25)27-13-15)11-18(19)28-20(31)16-7-5-6-8-17(16)21-29-30(4)23(32)33-21;1-20(2,3)25-16-10-9-12(21)11-15(16)22-17(25)13-7-5-6-8-14(13)18-23-24(4)19(26)27-18;1-19(2,3)24-15-9-8-11(20)10-14(15)21-16(24)12-6-4-5-7-13(12)17-22-23-18(25)26-17/h5-13H,1-4H3,(H2,25,26,27);5-11H,1-4H3;4-10H,1-3H3,(H,23,25).
What are the key properties of 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 1282.07 g/mol, XLogP of 12.99, 7 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3-methyl-1,3,4-oxadiazol-2-one;5-[2-(5-bromo-1-tert-butylbenzimidazol-2-yl)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162263281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).