1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine

C20H25N3O2 — CID 2984680

IUPAC1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine
SMILES[H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccccc1OC
InChIInChI=1S/C20H25N3O2/c1-3-4-13-22-16-9-5-6-10-17(16)23(20(22)21)14-15-25-19-12-8-7-11-18(19)24-2/h5-12,21H,3-4,13-15H2,1-2H3/b21-20+
InChIKeySKEYWFVHTUBBHY-QZQOTICOSA-N
MW339.44 g/mol
LogP3.81
Rot. Bonds8

About 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine

1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine (PubChem CID 2984680) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine.

Molecular Properties

Compound Name1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine
PubChem CID2984680
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine
SMILES[H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccccc1OC
InChIInChI=1S/C20H25N3O2/c1-3-4-13-22-16-9-5-6-10-17(16)23(20(22)21)14-15-25-19-12-8-7-11-18(19)24-2/h5-12,21H,3-4,13-15H2,1-2H3/b21-20+
InChIKeySKEYWFVHTUBBHY-QZQOTICOSA-N
XLogP3.81
TPSA52.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine?
The IUPAC name of 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine (CID 2984680) is 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine.
What is the SMILES notation for 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine?
The canonical SMILES for 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine is [H]/N=c1\n(CCCC)c2ccccc2n1CCOc1ccccc1OC.
What is the InChIKey of 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine?
The InChIKey is SKEYWFVHTUBBHY-QZQOTICOSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-4-13-22-16-9-5-6-10-17(16)23(20(22)21)14-15-25-19-12-8-7-11-18(19)24-2/h5-12,21H,3-4,13-15H2,1-2H3/b21-20+.
What are the key properties of 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine?
1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine has a molecular weight of 339.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine is sourced from PubChem (CID 2984680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).