1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol

C20H24N2O3 — CID 5057792

IUPAC1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccccc1OCCCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-15(23)20-21-16-9-3-4-10-17(16)22(20)13-7-8-14-25-19-12-6-5-11-18(19)24-2/h3-6,9-12,15,23H,7-8,13-14H2,1-2H3
InChIKeyGQANXKSOSUOGOB-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.96
Rot. Bonds8

About 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol

1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol (PubChem CID 5057792) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
PubChem CID5057792
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
SMILESCOc1ccccc1OCCCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-15(23)20-21-16-9-3-4-10-17(16)22(20)13-7-8-14-25-19-12-6-5-11-18(19)24-2/h3-6,9-12,15,23H,7-8,13-14H2,1-2H3
InChIKeyGQANXKSOSUOGOB-UHFFFAOYSA-N
XLogP3.96
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol (CID 5057792) is 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol is COc1ccccc1OCCCCn1c(C(C)O)nc2ccccc21.
What is the InChIKey of 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol?
The InChIKey is GQANXKSOSUOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)20-21-16-9-3-4-10-17(16)22(20)13-7-8-14-25-19-12-6-5-11-18(19)24-2/h3-6,9-12,15,23H,7-8,13-14H2,1-2H3.
What are the key properties of 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol?
1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol has a molecular weight of 340.42 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 5057792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).