N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C18H18N4O5 — CID 21233437

IUPACN-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCCOc1ccc(Oc2cc(NC(=O)C3=NCCN3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H18N4O5/c1-2-26-14-3-5-15(6-4-14)27-16-10-12(9-13(11-16)22(24)25)21-18(23)17-19-7-8-20-17/h3-6,9-11H,2,7-8H2,1H3,(H,19,20)(H,21,23)
InChIKeyWTSKCRUXBKQZER-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.73
Rot. Bonds7

About N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide

N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 21233437) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID21233437
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCCOc1ccc(Oc2cc(NC(=O)C3=NCCN3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H18N4O5/c1-2-26-14-3-5-15(6-4-14)27-16-10-12(9-13(11-16)22(24)25)21-18(23)17-19-7-8-20-17/h3-6,9-11H,2,7-8H2,1H3,(H,19,20)(H,21,23)
InChIKeyWTSKCRUXBKQZER-UHFFFAOYSA-N
XLogP2.73
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 5061335
2-[[5-[2-[3-(4-ethoxyphenoxy)-5-nitroanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide
CID 4167937
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
CID 4223458
4-chloro-1-ethyl-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19263365
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide
CID 22205482
4-iodo-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide
CID 19479891
N-(3-ethoxy-5-nitrophenyl)hydroxylamine
CID 130500571
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446657
3-(4-chlorophenyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1H-pyrazole-5-carboxamide
CID 19509431
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508210
4-chloro-1-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19263666
1-[(4-bromophenoxy)methyl]-N-[3-(4-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19272375

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 21233437) is N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CCOc1ccc(Oc2cc(NC(=O)C3=NCCN3)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is WTSKCRUXBKQZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-2-26-14-3-5-15(6-4-14)27-16-10-12(9-13(11-16)22(24)25)21-18(23)17-19-7-8-20-17/h3-6,9-11H,2,7-8H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 21233437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).