2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol

C23H19N3O4 — CID 3754981

IUPAC2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1O
InChIInChI=1S/C23H19N3O4/c1-14-8-10-17(26(28)29)13-18(14)22-21(15-6-4-3-5-7-15)24-23(25-22)16-9-11-20(30-2)19(27)12-16/h3-13,27H,1-2H3,(H,24,25)
InChIKeyUEZCBXVDBWYLOM-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.34
Rot. Bonds5

About 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol

2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol (PubChem CID 3754981) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
PubChem CID3754981
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1O
InChIInChI=1S/C23H19N3O4/c1-14-8-10-17(26(28)29)13-18(14)22-21(15-6-4-3-5-7-15)24-23(25-22)16-9-11-20(30-2)19(27)12-16/h3-13,27H,1-2H3,(H,24,25)
InChIKeyUEZCBXVDBWYLOM-UHFFFAOYSA-N
XLogP5.34
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The IUPAC name of 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol (CID 3754981) is 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol is COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1O.
What is the InChIKey of 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
The InChIKey is UEZCBXVDBWYLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-14-8-10-17(26(28)29)13-18(14)22-21(15-6-4-3-5-7-15)24-23(25-22)16-9-11-20(30-2)19(27)12-16/h3-13,27H,1-2H3,(H,24,25).
What are the key properties of 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol?
2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol has a molecular weight of 401.42 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(2-methyl-5-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 3754981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).