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

C116H98N14O7 — CID 158485290

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

2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 158485290) has the molecular formula C116H98N14O7 and a molecular weight of 1800.15 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

• Compound Name: 2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
• PubChem CID: 158485290
• Molecular Formula: C116H98N14O7
• Molecular Weight: 1800.15 g/mol
• Exact Mass: 1798.77
• IUPAC Name: 2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
• SMILES: CC(C)(C)CC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.Cc1ccc(O)c(-n2n3c4ccc(-c5ccccc5)cc4n23)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C20H25N3O.C20H16N2O.2C19H15N3O.C19H14N2O.C19H13NO2/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22(21)23;1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13-7-10-19(23)18(11-13)22-20-16-9-8-15(12-17(16)21(20)22)14-5-3-2-4-6-14;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;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/h6-12,24H,13H2,1-5H3;2-13,23H,1H3;2*2-12,23H,1H3;1-13,22H;1-12,21H
• InChIKey: HIAFLODSYCLXCE-UHFFFAOYSA-N
• XLogP: 27.01
• TPSA: 241.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.15
LogP ≤ 5	27.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 158485290) is 2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

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

The canonical SMILES for 2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)c(-n2n3c4ccccc4n23)c1.Cc1ccc(O)c(-n2n3c4ccc(-c5ccccc5)cc4n23)c1.Cc1ccccc1-n1c(-c2ccccc2O)nc2ccccc21.Cc1ccccc1-n1c(-c2ccccc2O)nc2ncccc21.Oc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.

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

The InChIKey is HIAFLODSYCLXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.C20H16N2O.2C19H15N3O.C19H14N2O.C19H13NO2/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22(21)23;1-14-8-2-5-11-17(14)22-18-12-6-4-10-16(18)21-20(22)15-9-3-7-13-19(15)23;1-13-7-10-19(23)18(11-13)22-20-16-9-8-15(12-17(16)21(20)22)14-5-3-2-4-6-14;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;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/h6-12,24H,13H2,1-5H3;2-13,23H,1H3;2*2-12,23H,1H3;1-13,22H;1-12,21H.

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

2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 1800.15 g/mol, XLogP of 27.01, 13 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-methylphenyl)benzimidazol-2-yl]phenol;2-[1-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol;4-methyl-2-(3-phenyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1(6),2,4-trien-8-yl)phenol;2-(1-phenylbenzimidazol-2-yl)phenol;2-(5-phenyl-1,3-benzoxazol-2-yl)phenol;2-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 158485290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).