(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol

C13H17ClN2O2 — CID 51977609

IUPAC(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
SMILESCCOCCn1c([C@@H](C)O)nc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O2/c1-3-18-7-6-16-12-5-4-10(14)8-11(12)15-13(16)9(2)17/h4-5,8-9,17H,3,6-7H2,1-2H3/t9-/m1/s1
InChIKeyCDVYIFVRCSBECB-SECBINFHSA-N
MW268.74 g/mol
LogP2.78
Rot. Bonds5

About (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol

(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol (PubChem CID 51977609) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
PubChem CID51977609
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
SMILESCCOCCn1c([C@@H](C)O)nc2cc(Cl)ccc21
InChIInChI=1S/C13H17ClN2O2/c1-3-18-7-6-16-12-5-4-10(14)8-11(12)15-13(16)9(2)17/h4-5,8-9,17H,3,6-7H2,1-2H3/t9-/m1/s1
InChIKeyCDVYIFVRCSBECB-SECBINFHSA-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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Related Compounds

3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 97179650
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
1-[5-chloro-1-[2-(3,4-dimethoxyphenyl)ethyl]benzimidazol-2-yl]ethanol
CID 46309801
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
(1S)-1-[1-[(2R)-butan-2-yl]-5-chlorobenzimidazol-2-yl]ethanol
CID 51978429
2-butan-2-yl-1-(2-ethoxyethyl)benzimidazole-5-carboxylic acid
CID 46309219

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The IUPAC name of (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol (CID 51977609) is (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol is CCOCCn1c([C@@H](C)O)nc2cc(Cl)ccc21.
What is the InChIKey of (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
The InChIKey is CDVYIFVRCSBECB-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-18-7-6-16-12-5-4-10(14)8-11(12)15-13(16)9(2)17/h4-5,8-9,17H,3,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol?
(1R)-1-[5-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 (1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 51977609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).