(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol

C11H13ClN2O — CID 94958065

IUPAC(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
SMILESCCn1c([C@@H](C)O)nc2cccc(Cl)c21
InChIInChI=1S/C11H13ClN2O/c1-3-14-10-8(12)5-4-6-9(10)13-11(14)7(2)15/h4-7,15H,3H2,1-2H3/t7-/m1/s1
InChIKeyLEEGJGYESQYCKX-SSDOTTSWSA-N
MW224.69 g/mol
LogP2.76
Rot. Bonds2

About (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol

(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol (PubChem CID 94958065) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
PubChem CID94958065
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol
SMILESCCn1c([C@@H](C)O)nc2cccc(Cl)c21
InChIInChI=1S/C11H13ClN2O/c1-3-14-10-8(12)5-4-6-9(10)13-11(14)7(2)15/h4-7,15H,3H2,1-2H3/t7-/m1/s1
InChIKeyLEEGJGYESQYCKX-SSDOTTSWSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol?
The IUPAC name of (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol (CID 94958065) is (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol is CCn1c([C@@H](C)O)nc2cccc(Cl)c21.
What is the InChIKey of (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol?
The InChIKey is LEEGJGYESQYCKX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-3-14-10-8(12)5-4-6-9(10)13-11(14)7(2)15/h4-7,15H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol?
(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol has a molecular weight of 224.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 94958065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).