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-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

C97H85N13O5 — CID 157063206

IUPAC2-[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-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(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-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H25N3O.C20H16N2O.2C19H15N3O.C19H14N2O/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/h6-12,24H,13H2,1-5H3;2-13,23H,1H3;2*2-12,23H,1H3;1-13,22H
InChIKeyABOICJMDBUELJG-UHFFFAOYSA-N
MW1512.83 g/mol
LogP22.15
Rot. Bonds11

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-(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-(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 157063206) has the molecular formula C97H85N13O5 and a molecular weight of 1512.83 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-(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 Name2-[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-(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 CID157063206
Molecular FormulaC97H85N13O5
Molecular Weight1512.83 g/mol
Exact Mass1511.68
IUPAC Name2-[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-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(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-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H25N3O.C20H16N2O.2C19H15N3O.C19H14N2O/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/h6-12,24H,13H2,1-5H3;2-13,23H,1H3;2*2-12,23H,1H3;1-13,22H
InChIKeyABOICJMDBUELJG-UHFFFAOYSA-N
XLogP22.15
TPSA195.00 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.83
LogP ≤ 522.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 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-(7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-trien-8-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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

Launch Full Analysis

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-(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-(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 157063206) 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-(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-(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-(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-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-(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 ABOICJMDBUELJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.C20H16N2O.2C19H15N3O.C19H14N2O/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/h6-12,24H,13H2,1-5H3;2-13,23H,1H3;2*2-12,23H,1H3;1-13,22H.
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-(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-(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 1512.83 g/mol, XLogP of 22.15, 11 rotatable bonds, 5 hydrogen bond donors, and 18 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-(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 157063206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).