2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol

C23H24N2O2 — CID 139073046

IUPAC2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol
SMILESCC1(C)N(Cc2ccccc2O)c2ccccc2N1Cc1ccccc1O
InChIInChI=1S/C23H24N2O2/c1-23(2)24(15-17-9-3-7-13-21(17)26)19-11-5-6-12-20(19)25(23)16-18-10-4-8-14-22(18)27/h3-14,26-27H,15-16H2,1-2H3
InChIKeyKCPRPMILKIABLK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.86
Rot. Bonds4

About 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol

2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol (PubChem CID 139073046) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol
PubChem CID139073046
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol
SMILESCC1(C)N(Cc2ccccc2O)c2ccccc2N1Cc1ccccc1O
InChIInChI=1S/C23H24N2O2/c1-23(2)24(15-17-9-3-7-13-21(17)26)19-11-5-6-12-20(19)25(23)16-18-10-4-8-14-22(18)27/h3-14,26-27H,15-16H2,1-2H3
InChIKeyKCPRPMILKIABLK-UHFFFAOYSA-N
XLogP4.86
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol?
The IUPAC name of 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol (CID 139073046) is 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol is CC1(C)N(Cc2ccccc2O)c2ccccc2N1Cc1ccccc1O.
What is the InChIKey of 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol?
The InChIKey is KCPRPMILKIABLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-23(2)24(15-17-9-3-7-13-21(17)26)19-11-5-6-12-20(19)25(23)16-18-10-4-8-14-22(18)27/h3-14,26-27H,15-16H2,1-2H3.
What are the key properties of 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol?
2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol has a molecular weight of 360.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxyphenyl)methyl]-2,2-dimethylbenzimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 139073046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).