(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol

C9H11N3O — CID 41455600

IUPAC(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
SMILESC[C@@H](O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C9H11N3O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-5,13H,10H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyLHBIQQWXXNJTFU-RXMQYKEDSA-N
MW177.21 g/mol
LogP1.20
Rot. Bonds1

About (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol

(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol (PubChem CID 41455600) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
PubChem CID41455600
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
SMILESC[C@@H](O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C9H11N3O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-5,13H,10H2,1H3,(H,11,12)/t5-/m1/s1
InChIKeyLHBIQQWXXNJTFU-RXMQYKEDSA-N
XLogP1.20
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1,2-bis(6-amino-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 765476
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 168512602
(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol
CID 125448267
2-heptan-3-yl-3H-benzimidazol-5-amine
CID 43125587

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol (CID 41455600) is (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol is C[C@@H](O)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol?
The InChIKey is LHBIQQWXXNJTFU-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-5,13H,10H2,1H3,(H,11,12)/t5-/m1/s1.
What are the key properties of (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol?
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol has a molecular weight of 177.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 41455600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).