1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole

C19H19N3O4 — CID 110535624

IUPAC1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole
SMILESCCn1ccnc1-c1cc(OC)c(OCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O4/c1-3-21-10-9-20-19(21)15-11-16(22(23)24)18(17(12-15)25-2)26-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKeyJCVIWBUSGRFKSD-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.07
Rot. Bonds7

About 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole

1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole (PubChem CID 110535624) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole
PubChem CID110535624
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole
SMILESCCn1ccnc1-c1cc(OC)c(OCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O4/c1-3-21-10-9-20-19(21)15-11-16(22(23)24)18(17(12-15)25-2)26-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKeyJCVIWBUSGRFKSD-UHFFFAOYSA-N
XLogP4.07
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
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

2-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]-1-methylsulfonylimidazole
CID 110531420
(1-benzylimidazol-2-yl)-(3,4-dimethoxy-5-nitrophenyl)methanone
CID 19000154
2-(3-chloro-4-phenylmethoxyphenyl)-1-ethylimidazole
CID 110537978
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 142496937
1-[3-ethyl-6-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethanone
CID 110528725
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841922
N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110531698
5,6-dimethoxy-2-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]-1H-benzimidazole
CID 110529978
N-[(E)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509605
5,6-dimethoxy-1-(2-nitrophenyl)-8-phenylmethoxyisoquinoline
CID 15696656
3-(4-methylpiperazin-1-yl)-5-[3-nitro-4,5-bis(phenylmethoxy)phenyl]-1,2,4-oxadiazole
CID 46203245
1-cyclohexyl-3-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 110530252

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole?
The IUPAC name of 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole (CID 110535624) is 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole.
What is the SMILES notation for 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole?
The canonical SMILES for 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole is CCn1ccnc1-c1cc(OC)c(OCc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole?
The InChIKey is JCVIWBUSGRFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-21-10-9-20-19(21)15-11-16(22(23)24)18(17(12-15)25-2)26-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole?
1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole has a molecular weight of 353.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)imidazole is sourced from PubChem (CID 110535624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).