1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid

C19H21N3O4 — CID 24838968

IUPAC1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid
SMILESCCCCO/C(=C/n1ccnc1)c1cccc2ccccc12.O=[N+]([O-])O
InChIInChI=1S/C19H20N2O.HNO3/c1-2-3-13-22-19(14-21-12-11-20-15-21)18-10-6-8-16-7-4-5-9-17(16)18;2-1(3)4/h4-12,14-15H,2-3,13H2,1H3;(H,2,3,4)/b19-14+;
InChIKeyHHDHEZXUBSEMLY-UGAWPWHASA-N
MW355.39 g/mol
LogP4.46
Rot. Bonds6

About 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid

1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid (PubChem CID 24838968) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid.

Molecular Properties

Compound Name1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid
PubChem CID24838968
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid
SMILESCCCCO/C(=C/n1ccnc1)c1cccc2ccccc12.O=[N+]([O-])O
InChIInChI=1S/C19H20N2O.HNO3/c1-2-3-13-22-19(14-21-12-11-20-15-21)18-10-6-8-16-7-4-5-9-17(16)18;2-1(3)4/h4-12,14-15H,2-3,13H2,1H3;(H,2,3,4)/b19-14+;
InChIKeyHHDHEZXUBSEMLY-UGAWPWHASA-N
XLogP4.46
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-butoxy-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 3038103
1-[2-[(4-chlorophenyl)sulfanylmethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole;nitric acid
CID 70582230
dibutyl 2-(naphthalen-1-ylmethylidene)propanedioate
CID 90311229
dioctyl benzene-1,2-dicarboxylate;1-nitronaphthalene
CID 158199141
azane;dodecyl naphthalene-1-carboxylate
CID 172795658
dioctyl benzene-1,2-dicarboxylate;naphthalen-1-ol
CID 174622604
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
CID 108573171
1-[(E)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 3033986
1-[(Z)-2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethenyl]imidazole
CID 10250981
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
butyl 5-hydroxyisoquinoline-1-carboxylate
CID 19897480
butyl imidazole-1-carboxylate
CID 12840941

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid?
The IUPAC name of 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid (CID 24838968) is 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid.
What is the SMILES notation for 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid?
The canonical SMILES for 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid is CCCCO/C(=C/n1ccnc1)c1cccc2ccccc12.O=[N+]([O-])O.
What is the InChIKey of 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid?
The InChIKey is HHDHEZXUBSEMLY-UGAWPWHASA-N. The full InChI is InChI=1S/C19H20N2O.HNO3/c1-2-3-13-22-19(14-21-12-11-20-15-21)18-10-6-8-16-7-4-5-9-17(16)18;2-1(3)4/h4-12,14-15H,2-3,13H2,1H3;(H,2,3,4)/b19-14+;.
What are the key properties of 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid?
1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid has a molecular weight of 355.39 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-butoxy-2-naphthalen-1-ylethenyl]imidazole;nitric acid is sourced from PubChem (CID 24838968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).