N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide

C19H18N4O4 — CID 1262906

IUPACN-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cncc2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H18N4O4/c1-2-27-17-9-5-15(6-10-17)21-19(24)12-22-13-20-11-18(22)14-3-7-16(8-4-14)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyJIHMIOCYDYEKOV-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.50
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide (PubChem CID 1262906) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
PubChem CID1262906
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cncc2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H18N4O4/c1-2-27-17-9-5-15(6-10-17)21-19(24)12-22-13-20-11-18(22)14-3-7-16(8-4-14)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyJIHMIOCYDYEKOV-UHFFFAOYSA-N
XLogP3.50
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.50
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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Related Compounds

4-methoxy-N-methyl-2-[4-(4-nitrophenyl)-1H-imidazol-1-yl]aniline
CID 831727
N-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrimidin-2-amine
CID 24762003
1-Butyl-3-{2-methyl-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10024321
1-(2-Methyl-6-{3-[4-(4-nitro-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10253938
1-{2-Dimethylamino-5-[3-(5-methyl-4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 10367148
1-{2-[3-(5-Methyl-4-phenyl-imidazol-1-yl)-propoxy]-6-nitro-phenyl}-3-pentyl-urea
CID 10412183
1-(2-Methyl-6-{3-[4-(2-nitro-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10434645
1-{2-[3-(5-Methyl-4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 10454827
N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)-1H-imidazol-1-yl]acetamide
CID 1316869
N-(4-tert-butylphenyl)-2-[4-(1-imidazolyl)phenoxy]acetamide
CID 4878352
1-(2-Methyl-6-{3-[4-(3-nitro-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10479623
(1H-Imidazol-4-ylmethyl)-(4-nitro-benzyl)-(4-phenoxy-phenyl)-amine
CID 44340736

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide (CID 1262906) is N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2cncc2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The InChIKey is JIHMIOCYDYEKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-2-27-17-9-5-15(6-10-17)21-19(24)12-22-13-20-11-18(22)14-3-7-16(8-4-14)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24).
What are the key properties of N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 1262906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).