(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol

C9H11N3O — CID 96741805

IUPAC(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
SMILESN[C@H](CO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C9H11N3O/c10-7(4-13)6-1-2-8-9(3-6)12-5-11-8/h1-3,5,7,13H,4,10H2,(H,11,12)/t7-/m1/s1
InChIKeyOVLPYIBXAUBGJW-SSDOTTSWSA-N
MW177.21 g/mol
LogP0.56
Rot. Bonds2

About (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol

(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol (PubChem CID 96741805) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
PubChem CID96741805
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
SMILESN[C@H](CO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C9H11N3O/c10-7(4-13)6-1-2-8-9(3-6)12-5-11-8/h1-3,5,7,13H,4,10H2,(H,11,12)/t7-/m1/s1
InChIKeyOVLPYIBXAUBGJW-SSDOTTSWSA-N
XLogP0.56
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol
CID 116942422
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
6-pentan-3-yl-1H-benzimidazole
CID 134401277
2-(3H-benzimidazol-5-yl)-2-(diaminomethylideneamino)acetic acid
CID 174481598
ethyl 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetate
CID 116914274
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
2-[amino(3H-benzimidazol-5-yl)methyl]-3-methylbutanoic acid
CID 116945219
2-(3H-benzimidazol-5-yl)-2-chloroacetic acid
CID 83533661
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol (CID 96741805) is (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol is N[C@H](CO)c1ccc2nc[nH]c2c1.
What is the InChIKey of (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol?
The InChIKey is OVLPYIBXAUBGJW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11N3O/c10-7(4-13)6-1-2-8-9(3-6)12-5-11-8/h1-3,5,7,13H,4,10H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol?
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol has a molecular weight of 177.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol is sourced from PubChem (CID 96741805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).