5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol

C23H30N4O2 — CID 3665509

IUPAC5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
SMILESCCOc1ccc(-c2cnc(NCc3ccc(N(CC)CC)cc3O)n2C)cc1
InChIInChI=1S/C23H30N4O2/c1-5-27(6-2)19-11-8-18(22(28)14-19)15-24-23-25-16-21(26(23)4)17-9-12-20(13-10-17)29-7-3/h8-14,16,28H,5-7,15H2,1-4H3,(H,24,25)
InChIKeyTVUZZZIMPLRDQP-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.65
Rot. Bonds9

About 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol

5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol (PubChem CID 3665509) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
PubChem CID3665509
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
SMILESCCOc1ccc(-c2cnc(NCc3ccc(N(CC)CC)cc3O)n2C)cc1
InChIInChI=1S/C23H30N4O2/c1-5-27(6-2)19-11-8-18(22(28)14-19)15-24-23-25-16-21(26(23)4)17-9-12-20(13-10-17)29-7-3/h8-14,16,28H,5-7,15H2,1-4H3,(H,24,25)
InChIKeyTVUZZZIMPLRDQP-UHFFFAOYSA-N
XLogP4.65
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol (CID 3665509) is 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol is CCOc1ccc(-c2cnc(NCc3ccc(N(CC)CC)cc3O)n2C)cc1.
What is the InChIKey of 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol?
The InChIKey is TVUZZZIMPLRDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-5-27(6-2)19-11-8-18(22(28)14-19)15-24-23-25-16-21(26(23)4)17-9-12-20(13-10-17)29-7-3/h8-14,16,28H,5-7,15H2,1-4H3,(H,24,25).
What are the key properties of 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol?
5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol has a molecular weight of 394.52 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol is sourced from PubChem (CID 3665509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).