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

C9H11N3O — CID 6543863

IUPAC(1S)-1-(1-aminobenzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccccc2n1N
InChIInChI=1S/C9H11N3O/c1-6(13)9-11-7-4-2-3-5-8(7)12(9)10/h2-6,13H,10H2,1H3/t6-/m0/s1
InChIKeyISYQAWGYCQTSQM-LURJTMIESA-N
MW177.21 g/mol
LogP0.80
Rot. Bonds1

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

(1S)-1-(1-aminobenzimidazol-2-yl)ethanol (PubChem CID 6543863) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (1S)-1-(1-aminobenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-aminobenzimidazol-2-yl)ethanol
PubChem CID6543863
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(1S)-1-(1-aminobenzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccccc2n1N
InChIInChI=1S/C9H11N3O/c1-6(13)9-11-7-4-2-3-5-8(7)12(9)10/h2-6,13H,10H2,1H3/t6-/m0/s1
InChIKeyISYQAWGYCQTSQM-LURJTMIESA-N
XLogP0.80
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxybenzimidazol-2-yl)ethanol
CID 83387830
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
(2R)-1-carbazol-9-yl-3-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propan-2-ol
CID 7000828
CID 164840749
CID 164840749
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
(1R)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 962322
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-aminobenzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(1-aminobenzimidazol-2-yl)ethanol (CID 6543863) is (1S)-1-(1-aminobenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-aminobenzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(1-aminobenzimidazol-2-yl)ethanol is C[C@H](O)c1nc2ccccc2n1N.
What is the InChIKey of (1S)-1-(1-aminobenzimidazol-2-yl)ethanol?
The InChIKey is ISYQAWGYCQTSQM-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O/c1-6(13)9-11-7-4-2-3-5-8(7)12(9)10/h2-6,13H,10H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(1-aminobenzimidazol-2-yl)ethanol?
(1S)-1-(1-aminobenzimidazol-2-yl)ethanol has a molecular weight of 177.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-aminobenzimidazol-2-yl)ethanol is sourced from PubChem (CID 6543863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).