N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide

C31H27N3O4 — CID 46103109

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cncn2-c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C31H27N3O4/c1-36-26-14-16-27(17-15-26)37-19-18-33-31(35)30-21-32-22-34(30)25-7-5-6-24(20-25)23-10-12-29(13-11-23)38-28-8-3-2-4-9-28/h2-17,20-22H,18-19H2,1H3,(H,33,35)
InChIKeyHUQBZBHHMWCGEW-UHFFFAOYSA-N
MW505.57 g/mol
LogP6.15
Rot. Bonds10

About N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 46103109) has the molecular formula C31H27N3O4 and a molecular weight of 505.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
PubChem CID46103109
Molecular FormulaC31H27N3O4
Molecular Weight505.57 g/mol
Exact Mass505.20
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cncn2-c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C31H27N3O4/c1-36-26-14-16-27(17-15-26)37-19-18-33-31(35)30-21-32-22-34(30)25-7-5-6-24(20-25)23-10-12-29(13-11-23)38-28-8-3-2-4-9-28/h2-17,20-22H,18-19H2,1H3,(H,33,35)
InChIKeyHUQBZBHHMWCGEW-UHFFFAOYSA-N
XLogP6.15
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103105
N-(2,3-dimethylcyclohexyl)-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46102818
3-(4-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 3810296
N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103186
3-(3-dibenzothiophen-4-ylphenyl)-N-[3-(4-methoxyphenyl)propyl]imidazole-4-carboxamide
CID 46102881
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-[3-[(2S)-2-ethylhexoxy]propyl]imidazole-4-carboxamide
CID 92771062
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3-[3-(3,4-dimethoxyphenyl)phenyl]-N-pentan-3-ylimidazole-4-carboxamide
CID 46101308
5-(4-methoxyphenyl)-N-(2-phenoxyethyl)-1,2-oxazole-3-carboxamide
CID 73254015
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide (CID 46103109) is N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide is COc1ccc(OCCNC(=O)c2cncn2-c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is HUQBZBHHMWCGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O4/c1-36-26-14-16-27(17-15-26)37-19-18-33-31(35)30-21-32-22-34(30)25-7-5-6-24(20-25)23-10-12-29(13-11-23)38-28-8-3-2-4-9-28/h2-17,20-22H,18-19H2,1H3,(H,33,35).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 6.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(4-phenoxyphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46103109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).