(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol

C16H16N2O — CID 764782

IUPAC(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3/t12-/m0/s1
InChIKeyLKEHINZOIKHAIM-LBPRGKRZSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds3

About (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol

(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol (PubChem CID 764782) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
PubChem CID764782
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H16N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3/t12-/m0/s1
InChIKeyLKEHINZOIKHAIM-LBPRGKRZSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 42904099
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
(1R)-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]ethanol
CID 673173
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
1-[1-[(3,4-dimethoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 3835157
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
(2R)-1-carbazol-9-yl-3-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propan-2-ol
CID 7000828

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol (CID 764782) is (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol is C[C@H](O)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol?
The InChIKey is LKEHINZOIKHAIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(19)16-17-14-9-5-6-10-15(14)18(16)11-13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol?
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol has a molecular weight of 252.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 764782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).