phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol

C24H24N2O — CID 2959653

IUPACphenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
SMILESCc1cc(C)c(Cn2c(C(O)c3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H24N2O/c1-16-13-17(2)20(18(3)14-16)15-26-22-12-8-7-11-21(22)25-24(26)23(27)19-9-5-4-6-10-19/h4-14,23,27H,15H2,1-3H3
InChIKeyYONKCWKLFWGBNN-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.09
Rot. Bonds4

About phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol

phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol (PubChem CID 2959653) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Namephenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
PubChem CID2959653
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Namephenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
SMILESCc1cc(C)c(Cn2c(C(O)c3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H24N2O/c1-16-13-17(2)20(18(3)14-16)15-26-22-12-8-7-11-21(22)25-24(26)23(27)19-9-5-4-6-10-19/h4-14,23,27H,15H2,1-3H3
InChIKeyYONKCWKLFWGBNN-UHFFFAOYSA-N
XLogP5.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18811353
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
(R)-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 7305937
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
(S)-(1-benzylbenzimidazol-2-yl)-(3,4-dimethoxyphenyl)methanol
CID 7316264
2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18877927

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol (CID 2959653) is phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol is Cc1cc(C)c(Cn2c(C(O)c3ccccc3)nc3ccccc32)c(C)c1.
What is the InChIKey of phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is YONKCWKLFWGBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-16-13-17(2)20(18(3)14-16)15-26-22-12-8-7-11-21(22)25-24(26)23(27)19-9-5-4-6-10-19/h4-14,23,27H,15H2,1-3H3.
What are the key properties of phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol?
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 2959653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).