1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid

C19H20ClN3O5 — CID 70550149

IUPAC1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
SMILESCOc1ccc(C(O)(Cc2ccc(Cl)cc2)Cn2ccnc2)cc1.O=[N+]([O-])O
InChIInChI=1S/C19H19ClN2O2.HNO3/c1-24-18-8-4-16(5-9-18)19(23,13-22-11-10-21-14-22)12-15-2-6-17(20)7-3-15;2-1(3)4/h2-11,14,23H,12-13H2,1H3;(H,2,3,4)
InChIKeyBSHPXDYCDBFPFK-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.33
Rot. Bonds6

About 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid

1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid (PubChem CID 70550149) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
PubChem CID70550149
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Name1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
SMILESCOc1ccc(C(O)(Cc2ccc(Cl)cc2)Cn2ccnc2)cc1.O=[N+]([O-])O
InChIInChI=1S/C19H19ClN2O2.HNO3/c1-24-18-8-4-16(5-9-18)19(23,13-22-11-10-21-14-22)12-15-2-6-17(20)7-3-15;2-1(3)4/h2-11,14,23H,12-13H2,1H3;(H,2,3,4)
InChIKeyBSHPXDYCDBFPFK-UHFFFAOYSA-N
XLogP3.33
TPSA110.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-(4-iodophenyl)propan-2-ol;nitric acid
CID 70549876
1-[2-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methoxy]ethyl]imidazole;nitric acid
CID 162318190
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
CID 22763056
2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol
CID 14988709
2-(2-chlorophenyl)-2-(4-chlorophenyl)-3-imidazol-1-ylpropanenitrile;nitric acid
CID 173443390
2-(2-bromo-4-chlorophenyl)-1-(2-chlorophenyl)-3-imidazol-1-ylpropan-2-ol;nitric acid
CID 70550084
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 20519440
1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole
CID 70502718
1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid
CID 70638827
(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol
CID 125493756

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid?
The IUPAC name of 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid (CID 70550149) is 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid.
What is the SMILES notation for 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid?
The canonical SMILES for 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid is COc1ccc(C(O)(Cc2ccc(Cl)cc2)Cn2ccnc2)cc1.O=[N+]([O-])O.
What is the InChIKey of 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid?
The InChIKey is BSHPXDYCDBFPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2.HNO3/c1-24-18-8-4-16(5-9-18)19(23,13-22-11-10-21-14-22)12-15-2-6-17(20)7-3-15;2-1(3)4/h2-11,14,23H,12-13H2,1H3;(H,2,3,4).
What are the key properties of 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid?
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid has a molecular weight of 405.84 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid is sourced from PubChem (CID 70550149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).