2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine

C33H34ClN3O5 — CID 16730354

IUPAC2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine
SMILESCOc1ccc(-c2nc(-c3ccc(-c4cccc(Cl)c4)o3)n(CCOCCOCCN)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H34ClN3O5/c1-38-27-10-6-23(7-11-27)31-32(24-8-12-28(39-2)13-9-24)37(17-19-41-21-20-40-18-16-35)33(36-31)30-15-14-29(42-30)25-4-3-5-26(34)22-25/h3-15,22H,16-21,35H2,1-2H3
InChIKeyMEGGYEFVBOTBQN-UHFFFAOYSA-N
MW588.10 g/mol
LogP6.81
Rot. Bonds14

About 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine (PubChem CID 16730354) has the molecular formula C33H34ClN3O5 and a molecular weight of 588.10 g/mol. Its IUPAC name is 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine
PubChem CID16730354
Molecular FormulaC33H34ClN3O5
Molecular Weight588.10 g/mol
Exact Mass587.22
IUPAC Name2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine
SMILESCOc1ccc(-c2nc(-c3ccc(-c4cccc(Cl)c4)o3)n(CCOCCOCCN)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H34ClN3O5/c1-38-27-10-6-23(7-11-27)31-32(24-8-12-28(39-2)13-9-24)37(17-19-41-21-20-40-18-16-35)33(36-31)30-15-14-29(42-30)25-4-3-5-26(34)22-25/h3-15,22H,16-21,35H2,1-2H3
InChIKeyMEGGYEFVBOTBQN-UHFFFAOYSA-N
XLogP6.81
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.10
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine (CID 16730354) is 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine is COc1ccc(-c2nc(-c3ccc(-c4cccc(Cl)c4)o3)n(CCOCCOCCN)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine?
The InChIKey is MEGGYEFVBOTBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN3O5/c1-38-27-10-6-23(7-11-27)31-32(24-8-12-28(39-2)13-9-24)37(17-19-41-21-20-40-18-16-35)33(36-31)30-15-14-29(42-30)25-4-3-5-26(34)22-25/h3-15,22H,16-21,35H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine has a molecular weight of 588.10 g/mol, XLogP of 6.81, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 16730354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).