3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol

C21H18N2O — CID 15388681

IUPAC3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
SMILESCc1cccc(-c2nc3ccccc3n2Cc2cccc(O)c2)c1
InChIInChI=1S/C21H18N2O/c1-15-6-4-8-17(12-15)21-22-19-10-2-3-11-20(19)23(21)14-16-7-5-9-18(24)13-16/h2-13,24H,14H2,1H3
InChIKeyDLNLOCOHBPTZBF-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.77
Rot. Bonds3

About 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol

3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol (PubChem CID 15388681) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
PubChem CID15388681
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
SMILESCc1cccc(-c2nc3ccccc3n2Cc2cccc(O)c2)c1
InChIInChI=1S/C21H18N2O/c1-15-6-4-8-17(12-15)21-22-19-10-2-3-11-20(19)23(21)14-16-7-5-9-18(24)13-16/h2-13,24H,14H2,1H3
InChIKeyDLNLOCOHBPTZBF-UHFFFAOYSA-N
XLogP4.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
1-[(3-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
CID 129161943
1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987368
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 17001152

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol (CID 15388681) is 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol is Cc1cccc(-c2nc3ccccc3n2Cc2cccc(O)c2)c1.
What is the InChIKey of 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol?
The InChIKey is DLNLOCOHBPTZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-15-6-4-8-17(12-15)21-22-19-10-2-3-11-20(19)23(21)14-16-7-5-9-18(24)13-16/h2-13,24H,14H2,1H3.
What are the key properties of 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol?
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol has a molecular weight of 314.39 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 15388681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).