(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol

C13H17ClN2O2 — CID 97179650

IUPAC(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
SMILESCCOCCn1c([C@H](C)O)nc2cccc(Cl)c21
InChIInChI=1S/C13H17ClN2O2/c1-3-18-8-7-16-12-10(14)5-4-6-11(12)15-13(16)9(2)17/h4-6,9,17H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCQHVWAWEOBWVID-VIFPVBQESA-N
MW268.74 g/mol
LogP2.78
Rot. Bonds5

About (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol

(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol (PubChem CID 97179650) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
PubChem CID97179650
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
SMILESCCOCCn1c([C@H](C)O)nc2cccc(Cl)c21
InChIInChI=1S/C13H17ClN2O2/c1-3-18-8-7-16-12-10(14)5-4-6-11(12)15-13(16)9(2)17/h4-6,9,17H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCQHVWAWEOBWVID-VIFPVBQESA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol (CID 97179650) is (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol is CCOCCn1c([C@H](C)O)nc2cccc(Cl)c21.
What is the InChIKey of (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The InChIKey is CQHVWAWEOBWVID-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-18-8-7-16-12-10(14)5-4-6-11(12)15-13(16)9(2)17/h4-6,9,17H,3,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol has a molecular weight of 268.74 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 97179650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).