(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol

C18H20N2O2 — CID 6998450

IUPAC(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
SMILESCCOCCn1c([C@@H](O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-2-22-13-12-20-16-11-7-6-10-15(16)19-18(20)17(21)14-8-4-3-5-9-14/h3-11,17,21H,2,12-13H2,1H3/t17-/m0/s1
InChIKeyDZFXHRKROXSRIK-KRWDZBQOSA-N
MW296.37 g/mol
LogP3.15
Rot. Bonds6

About (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol

(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol (PubChem CID 6998450) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
PubChem CID6998450
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
SMILESCCOCCn1c([C@@H](O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-2-22-13-12-20-16-11-7-6-10-15(16)19-18(20)17(21)14-8-4-3-5-9-14/h3-11,17,21H,2,12-13H2,1H3/t17-/m0/s1
InChIKeyDZFXHRKROXSRIK-KRWDZBQOSA-N
XLogP3.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.15
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

(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995122
1-[1-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 58049613
[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995132
1-[1-[2-[2-[2-[2-(1-hydroxyethyl)benzimidazol-1-yl]ethoxy]ethoxy]ethyl]benzimidazol-2-yl]ethanol
CID 66663003
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
phenyl-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methanol
CID 16995165
[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-phenylmethanol
CID 4898002
[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995160
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033

Frequently Asked Questions

What is the IUPAC name of (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol?
The IUPAC name of (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol (CID 6998450) is (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol is CCOCCn1c([C@@H](O)c2ccccc2)nc2ccccc21.
What is the InChIKey of (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol?
The InChIKey is DZFXHRKROXSRIK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-22-13-12-20-16-11-7-6-10-15(16)19-18(20)17(21)14-8-4-3-5-9-14/h3-11,17,21H,2,12-13H2,1H3/t17-/m0/s1.
What are the key properties of (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol?
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol has a molecular weight of 296.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 6998450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).