(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol

C20H24N2O — CID 962322

IUPAC(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCc1cc(C)c(C)c(Cn2c([C@@H](C)O)nc3ccccc32)c1C
InChIInChI=1S/C20H24N2O/c1-12-10-13(2)15(4)17(14(12)3)11-22-19-9-7-6-8-18(19)21-20(22)16(5)23/h6-10,16,23H,11H2,1-5H3/t16-/m1/s1
InChIKeyCIKMCBIZTJBKHQ-MRXNPFEDSA-N
MW308.43 g/mol
LogP4.37
Rot. Bonds3

About (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol

(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol (PubChem CID 962322) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
PubChem CID962322
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
SMILESCc1cc(C)c(C)c(Cn2c([C@@H](C)O)nc3ccccc32)c1C
InChIInChI=1S/C20H24N2O/c1-12-10-13(2)15(4)17(14(12)3)11-22-19-9-7-6-8-18(19)21-20(22)16(5)23/h6-10,16,23H,11H2,1-5H3/t16-/m1/s1
InChIKeyCIKMCBIZTJBKHQ-MRXNPFEDSA-N
XLogP4.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969327
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571426
2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969177
phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 42904099
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
(4S)-4-hydroxy-N-[2-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]pentanamide
CID 40699037
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol?
The IUPAC name of (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol (CID 962322) is (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol is Cc1cc(C)c(C)c(Cn2c([C@@H](C)O)nc3ccccc32)c1C.
What is the InChIKey of (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol?
The InChIKey is CIKMCBIZTJBKHQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O/c1-12-10-13(2)15(4)17(14(12)3)11-22-19-9-7-6-8-18(19)21-20(22)16(5)23/h6-10,16,23H,11H2,1-5H3/t16-/m1/s1.
What are the key properties of (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol?
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol has a molecular weight of 308.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 962322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).