(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol

C18H15N3O — CID 95188258

IUPAC(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccc(-c3cccc4cccnc34)cc2[nH]1
InChIInChI=1S/C18H15N3O/c1-11(22)18-20-15-8-7-13(10-16(15)21-18)14-6-2-4-12-5-3-9-19-17(12)14/h2-11,22H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyAWSHEGAPPCRVOM-NSHDSACASA-N
MW289.34 g/mol
LogP3.83
Rot. Bonds2

About (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol

(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol (PubChem CID 95188258) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
PubChem CID95188258
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2ccc(-c3cccc4cccnc34)cc2[nH]1
InChIInChI=1S/C18H15N3O/c1-11(22)18-20-15-8-7-13(10-16(15)21-18)14-6-2-4-12-5-3-9-19-17(12)14/h2-11,22H,1H3,(H,20,21)/t11-/m0/s1
InChIKeyAWSHEGAPPCRVOM-NSHDSACASA-N
XLogP3.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol (CID 95188258) is (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol is C[C@H](O)c1nc2ccc(-c3cccc4cccnc34)cc2[nH]1.
What is the InChIKey of (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol?
The InChIKey is AWSHEGAPPCRVOM-NSHDSACASA-N. The full InChI is InChI=1S/C18H15N3O/c1-11(22)18-20-15-8-7-13(10-16(15)21-18)14-6-2-4-12-5-3-9-19-17(12)14/h2-11,22H,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol?
(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol has a molecular weight of 289.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol is sourced from PubChem (CID 95188258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).