(1S)-1-(1H-benzimidazol-2-yl)ethanol

C18H20N4O2 — CID 139074850

IUPAC(1S)-1-(1H-benzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccccc2[nH]1.C[C@H](O)c1nc2ccccc2[nH]1
InChIInChI=1S/2C9H10N2O/c2*1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2*2-6,12H,1H3,(H,10,11)/t2*6-/m00/s1
InChIKeyGOWQSIGTYUTQRK-HKGPVOKGSA-N
MW324.38 g/mol
LogP3.23
Rot. Bonds2

About (1S)-1-(1H-benzimidazol-2-yl)ethanol

(1S)-1-(1H-benzimidazol-2-yl)ethanol (PubChem CID 139074850) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1S)-1-(1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1H-benzimidazol-2-yl)ethanol
PubChem CID139074850
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(1S)-1-(1H-benzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccccc2[nH]1.C[C@H](O)c1nc2ccccc2[nH]1
InChIInChI=1S/2C9H10N2O/c2*1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2*2-6,12H,1H3,(H,10,11)/t2*6-/m00/s1
InChIKeyGOWQSIGTYUTQRK-HKGPVOKGSA-N
XLogP3.23
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-propan-2-yl-1H-benzimidazole
CID 22121
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
CID 82603982
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-benzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(1H-benzimidazol-2-yl)ethanol (CID 139074850) is (1S)-1-(1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(1H-benzimidazol-2-yl)ethanol is C[C@H](O)c1nc2ccccc2[nH]1.C[C@H](O)c1nc2ccccc2[nH]1.
What is the InChIKey of (1S)-1-(1H-benzimidazol-2-yl)ethanol?
The InChIKey is GOWQSIGTYUTQRK-HKGPVOKGSA-N. The full InChI is InChI=1S/2C9H10N2O/c2*1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2*2-6,12H,1H3,(H,10,11)/t2*6-/m00/s1.
What are the key properties of (1S)-1-(1H-benzimidazol-2-yl)ethanol?
(1S)-1-(1H-benzimidazol-2-yl)ethanol has a molecular weight of 324.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 139074850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).