[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol

C19H21N3O2 — CID 110897397

IUPAC[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol
SMILESCCOc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1CO
InChIInChI=1S/C19H21N3O2/c1-2-24-19-8-5-17(11-16(19)13-23)21-12-15-3-6-18(7-4-15)22-10-9-20-14-22/h3-11,14,21,23H,2,12-13H2,1H3
InChIKeyOSQVRBKWUMALEN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.38
Rot. Bonds7

About [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol

[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol (PubChem CID 110897397) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol
PubChem CID110897397
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol
SMILESCCOc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1CO
InChIInChI=1S/C19H21N3O2/c1-2-24-19-8-5-17(11-16(19)13-23)21-12-15-3-6-18(7-4-15)22-10-9-20-14-22/h3-11,14,21,23H,2,12-13H2,1H3
InChIKeyOSQVRBKWUMALEN-UHFFFAOYSA-N
XLogP3.38
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30393490
[2-ethoxy-5-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanol
CID 66412545
[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 54880114
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol (CID 110897397) is [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol is CCOc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol?
The InChIKey is OSQVRBKWUMALEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-24-19-8-5-17(11-16(19)13-23)21-12-15-3-6-18(7-4-15)22-10-9-20-14-22/h3-11,14,21,23H,2,12-13H2,1H3.
What are the key properties of [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol?
[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol has a molecular weight of 323.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 110897397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).