(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol

C9H8ClFN2O — CID 178090057

IUPAC(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2c(F)cc(Cl)cc2[nH]1
InChIInChI=1S/C9H8ClFN2O/c1-4(14)9-12-7-3-5(10)2-6(11)8(7)13-9/h2-4,14H,1H3,(H,12,13)/t4-/m0/s1
InChIKeyZQEVIUIJNJFUNA-BYPYZUCNSA-N
MW214.63 g/mol
LogP2.41
Rot. Bonds1

About (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol

(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol (PubChem CID 178090057) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol
PubChem CID178090057
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2c(F)cc(Cl)cc2[nH]1
InChIInChI=1S/C9H8ClFN2O/c1-4(14)9-12-7-3-5(10)2-6(11)8(7)13-9/h2-4,14H,1H3,(H,12,13)/t4-/m0/s1
InChIKeyZQEVIUIJNJFUNA-BYPYZUCNSA-N
XLogP2.41
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol (CID 178090057) is (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol is C[C@H](O)c1nc2c(F)cc(Cl)cc2[nH]1.
What is the InChIKey of (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol?
The InChIKey is ZQEVIUIJNJFUNA-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c1-4(14)9-12-7-3-5(10)2-6(11)8(7)13-9/h2-4,14H,1H3,(H,12,13)/t4-/m0/s1.
What are the key properties of (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol?
(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol has a molecular weight of 214.63 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 178090057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).