4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol

C133H107N15O8S — CID 158569158

About 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol

4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol (PubChem CID 158569158) has the molecular formula C133H107N15O8S and a molecular weight of 2075.48 g/mol. Its IUPAC name is 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol.

Molecular Properties

• Compound Name: 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol
• PubChem CID: 158569158
• Molecular Formula: C133H107N15O8S
• Molecular Weight: 2075.48 g/mol
• Exact Mass: 2073.81
• IUPAC Name: 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol
• SMILES: CC(C)CC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-n1n2c3ccc(-c4ccccc4)cc3n12
• InChI: InChI=1S/C20H16N2O.C19H23N3O.C19H15N3O.C19H14N2O.C19H13NO2.C19H13NOS.C18H13N3O/c1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13(2)12-19(3,4)14-9-10-18(23)17(11-14)22-20-15-7-5-6-8-16(15)21(20)22;1-13-7-2-4-9-15(13)22-16-10-6-12-20-18(16)21-19(22)14-8-3-5-11-17(14)23;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13;22-18-9-5-4-8-16(18)20-19-15-11-10-14(12-17(15)21(19)20)13-6-2-1-3-7-13/h2-13,23H,1H3;5-11,13,23H,12H2,1-4H3;2-12,23H,1H3;1-13,22H;2*1-12,21H;1-12,22H
• InChIKey: HRWDPNQPAUGDIR-UHFFFAOYSA-N
• XLogP: 31.65
• TPSA: 274.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.48
LogP ≤ 5	31.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol?

The IUPAC name of 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol (CID 158569158) is 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol.

What is the SMILES notation for 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol?

The canonical SMILES for 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol is CC(C)CC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2s1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-n1n2c3ccc(-c4ccccc4)cc3n12.

What is the InChIKey of 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol?

The InChIKey is HRWDPNQPAUGDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O.C19H23N3O.C19H15N3O.C19H14N2O.C19H13NO2.C19H13NOS.C18H13N3O/c1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13(2)12-19(3,4)14-9-10-18(23)17(11-14)22-20-15-7-5-6-8-16(15)21(20)22;1-13-7-2-4-9-15(13)22-16-10-6-12-20-18(16)21-19(22)14-8-3-5-11-17(14)23;22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;2*21-17-9-5-4-8-15(17)19-20-16-12-14(10-11-18(16)22-19)13-6-2-1-3-7-13;22-18-9-5-4-8-16(18)20-19-15-11-10-14(12-17(15)21(19)20)13-6-2-1-3-7-13/h2-13,23H,1H3;5-11,13,23H,12H2,1-4H3;2-12,23H,1H3;1-13,22H;2*1-12,21H;1-12,22H.

What are the key properties of 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol?

4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol has a molecular weight of 2075.48 g/mol, XLogP of 31.65, 16 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dimethylpentan-2-yl)-2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)phenol;2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzothiazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol is sourced from PubChem (CID 158569158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).