3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol

C21H18N2O — CID 57424050

IUPAC3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
SMILESCc1ccccc1-c1nc2ccccc2n1-c1ccc(O)cc1C
InChIInChI=1S/C21H18N2O/c1-14-7-3-4-8-17(14)21-22-18-9-5-6-10-20(18)23(21)19-12-11-16(24)13-15(19)2/h3-13,24H,1-2H3
InChIKeyVRQIXCDZWQMWRJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.01
Rot. Bonds2

About 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol

3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol (PubChem CID 57424050) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol.

Molecular Properties

Compound Name3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
PubChem CID57424050
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
SMILESCc1ccccc1-c1nc2ccccc2n1-c1ccc(O)cc1C
InChIInChI=1S/C21H18N2O/c1-14-7-3-4-8-17(14)21-22-18-9-5-6-10-20(18)23(21)19-12-11-16(24)13-15(19)2/h3-13,24H,1-2H3
InChIKeyVRQIXCDZWQMWRJ-UHFFFAOYSA-N
XLogP5.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
2-amino-1-(2-methylphenyl)benzimidazol-5-ol
CID 84799586
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(2-methylphenyl)benzimidazol-1-yl]phenyl]-2-(2-methylphenyl)benzimidazole
CID 155173960
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
3-methyl-4-(2-methylbenzimidazol-1-yl)aniline
CID 82513326
6-[1-(2-methylphenyl)benzimidazol-2-yl]cyclohepta-1,3,5-trien-1-ol
CID 143113223
2-bromoindolo[1,2-a]benzimidazol-11-one
CID 146638668
8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene
CID 118363229
8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]
CID 162503288
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol?
The IUPAC name of 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol (CID 57424050) is 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol.
What is the SMILES notation for 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol?
The canonical SMILES for 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol is Cc1ccccc1-c1nc2ccccc2n1-c1ccc(O)cc1C.
What is the InChIKey of 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol?
The InChIKey is VRQIXCDZWQMWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-7-3-4-8-17(14)21-22-18-9-5-6-10-20(18)23(21)19-12-11-16(24)13-15(19)2/h3-13,24H,1-2H3.
What are the key properties of 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol?
3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol has a molecular weight of 314.39 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol is sourced from PubChem (CID 57424050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).