2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid

C10H10N2O3 — CID 832002

IUPAC2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
SMILESC[C@@H](O)c1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C10H10N2O3/c1-5(13)9-11-7-3-2-6(10(14)15)4-8(7)12-9/h2-5,13H,1H3,(H,11,12)(H,14,15)/t5-/m1/s1
InChIKeyDJTZCUDCEWMZBL-RXMQYKEDSA-N
MW206.20 g/mol
LogP1.31
Rot. Bonds2

About 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid

2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 832002) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
PubChem CID832002
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
SMILESC[C@@H](O)c1nc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C10H10N2O3/c1-5(13)9-11-7-3-2-6(10(14)15)4-8(7)12-9/h2-5,13H,1H3,(H,11,12)(H,14,15)/t5-/m1/s1
InChIKeyDJTZCUDCEWMZBL-RXMQYKEDSA-N
XLogP1.31
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156
2-propan-2-yl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 17368247
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
(1S)-1-(6-methylsulfonyl-1H-benzimidazol-2-yl)ethanol
CID 66264432
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
CID 62735128
2-(propan-2-yloxymethyl)-3H-benzimidazole-5-carboxylic acid
CID 112603089
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
1-(6-pyrrolidin-1-yl-1H-benzimidazol-2-yl)ethanol
CID 168512602
3-[4-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]phenyl]propanoic acid
CID 122565007

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid (CID 832002) is 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid is C[C@@H](O)c1nc2ccc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is DJTZCUDCEWMZBL-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5(13)9-11-7-3-2-6(10(14)15)4-8(7)12-9/h2-5,13H,1H3,(H,11,12)(H,14,15)/t5-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid?
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 832002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).