N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide

C26H25FN4O4 — CID 21443435

IUPACN-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide
SMILESCc1ccccc1C(CN1C=CN(CC(=O)Nc2ccc(F)cc2)C1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H25FN4O4/c1-19-4-2-3-5-24(19)25(35-23-12-10-22(11-13-23)31(33)34)16-29-14-15-30(18-29)17-26(32)28-21-8-6-20(27)7-9-21/h2-15,25H,16-18H2,1H3,(H,28,32)
InChIKeyZBKXGWPPEDAUGD-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.85
Rot. Bonds9

About N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide (PubChem CID 21443435) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide
PubChem CID21443435
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC NameN-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide
SMILESCc1ccccc1C(CN1C=CN(CC(=O)Nc2ccc(F)cc2)C1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H25FN4O4/c1-19-4-2-3-5-24(19)25(35-23-12-10-22(11-13-23)31(33)34)16-29-14-15-30(18-29)17-26(32)28-21-8-6-20(27)7-9-21/h2-15,25H,16-18H2,1H3,(H,28,32)
InChIKeyZBKXGWPPEDAUGD-UHFFFAOYSA-N
XLogP4.85
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide (CID 21443435) is N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide is Cc1ccccc1C(CN1C=CN(CC(=O)Nc2ccc(F)cc2)C1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide?
The InChIKey is ZBKXGWPPEDAUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-19-4-2-3-5-24(19)25(35-23-12-10-22(11-13-23)31(33)34)16-29-14-15-30(18-29)17-26(32)28-21-8-6-20(27)7-9-21/h2-15,25H,16-18H2,1H3,(H,28,32).
What are the key properties of N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide has a molecular weight of 476.51 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[2-(2-methylphenyl)-2-(4-nitrophenoxy)ethyl]-2H-imidazol-1-yl]acetamide is sourced from PubChem (CID 21443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).