(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol

C15H12ClFN2O — CID 97454007

IUPAC(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol
SMILESC[C@H](O)c1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1
InChIInChI=1S/C15H12ClFN2O/c1-8(20)15-18-13-3-2-9(6-14(13)19-15)10-4-11(16)7-12(17)5-10/h2-8,20H,1H3,(H,18,19)/t8-/m0/s1
InChIKeyCOHVTIJXYDPWEF-QMMMGPOBSA-N
MW290.73 g/mol
LogP4.08
Rot. Bonds2

About (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol

(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol (PubChem CID 97454007) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol
PubChem CID97454007
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol
SMILESC[C@H](O)c1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1
InChIInChI=1S/C15H12ClFN2O/c1-8(20)15-18-13-3-2-9(6-14(13)19-15)10-4-11(16)7-12(17)5-10/h2-8,20H,1H3,(H,18,19)/t8-/m0/s1
InChIKeyCOHVTIJXYDPWEF-QMMMGPOBSA-N
XLogP4.08
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-amine;hydrobromide
CID 67386797
1-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]ethanol
CID 72854769
(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol
CID 125448267
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
3-[4-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]phenyl]propanoic acid
CID 122565007
3-[4-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]phenyl]propanoic acid
CID 125442347
N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]pyridine-2-carboxamide
CID 141279216
(1S)-1-(6-chloro-4-fluoro-1H-benzimidazol-2-yl)ethanol
CID 178090057
6,8-dichloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67290201
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol (CID 97454007) is (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol is C[C@H](O)c1nc2ccc(-c3cc(F)cc(Cl)c3)cc2[nH]1.
What is the InChIKey of (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol?
The InChIKey is COHVTIJXYDPWEF-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-8(20)15-18-13-3-2-9(6-14(13)19-15)10-4-11(16)7-12(17)5-10/h2-8,20H,1H3,(H,18,19)/t8-/m0/s1.
What are the key properties of (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol?
(1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol has a molecular weight of 290.73 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]ethanol is sourced from PubChem (CID 97454007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).