N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide

C19H18N4O4 — CID 34906740

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H18N4O4/c24-19(13-27-18-7-5-17(6-8-18)23(25)26)21-11-15-1-3-16(4-2-15)12-22-10-9-20-14-22/h1-10,14H,11-13H2,(H,21,24)
InChIKeyNDCPFBHMGOMULL-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.53
Rot. Bonds8

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 34906740) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide
PubChem CID34906740
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H18N4O4/c24-19(13-27-18-7-5-17(6-8-18)23(25)26)21-11-15-1-3-16(4-2-15)12-22-10-9-20-14-22/h1-10,14H,11-13H2,(H,21,24)
InChIKeyNDCPFBHMGOMULL-UHFFFAOYSA-N
XLogP2.53
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.53
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

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426607
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
methyl 3-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate
CID 37426793
(1S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-nitrophenyl)ethanamine
CID 97229964
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 41161682
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 92672064
N-[4-(imidazol-1-ylmethyl)phenyl]-5-nitropyrimidin-2-amine
CID 133467421
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 52940822

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide (CID 34906740) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is NDCPFBHMGOMULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-19(13-27-18-7-5-17(6-8-18)23(25)26)21-11-15-1-3-16(4-2-15)12-22-10-9-20-14-22/h1-10,14H,11-13H2,(H,21,24).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 366.38 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 34906740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).