1-[2-(2-nitrophenyl)ethyl]imidazole

C11H11N3O2 — CID 63811296

IUPAC1-[2-(2-nitrophenyl)ethyl]imidazole
SMILESO=[N+]([O-])c1ccccc1CCn1ccnc1
InChIInChI=1S/C11H11N3O2/c15-14(16)11-4-2-1-3-10(11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2
InChIKeyKMAJQTYYDCTBGJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.03
Rot. Bonds4

About 1-[2-(2-nitrophenyl)ethyl]imidazole

1-[2-(2-nitrophenyl)ethyl]imidazole (PubChem CID 63811296) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[2-(2-nitrophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-nitrophenyl)ethyl]imidazole
PubChem CID63811296
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-[2-(2-nitrophenyl)ethyl]imidazole
SMILESO=[N+]([O-])c1ccccc1CCn1ccnc1
InChIInChI=1S/C11H11N3O2/c15-14(16)11-4-2-1-3-10(11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2
InChIKeyKMAJQTYYDCTBGJ-UHFFFAOYSA-N
XLogP2.03
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-(3-imidazol-1-ylpropyl)-3-methyl-5-(2-nitrophenyl)-1,2,4-triazole
CID 50898196
2-chloro-N-(2-imidazol-1-ylethyl)-6-nitroaniline
CID 62084776
3-chloro-1-[2-(2-nitrophenyl)ethyl]pyrazin-2-one
CID 114561625
2-chloro-N-(2-imidazol-1-ylethyl)-3-nitrobenzamide
CID 115931104
3-[2-(2-nitrophenyl)ethyl]-1,3-thiazol-2-one
CID 116622699
2-methyl-1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-3-yl]propan-1-ol
CID 79109549
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-4-amine
CID 28994217
1-(imidazol-1-ylmethyl)-4-methyl-2-(2-nitrophenyl)piperazine
CID 123898501
3,5-diethyl-1-[2-(2-nitrophenyl)ethyl]pyrazole
CID 82700258
1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
CID 112728227
N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nitrophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-(2-nitrophenyl)ethyl]imidazole (CID 63811296) is 1-[2-(2-nitrophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-nitrophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-nitrophenyl)ethyl]imidazole is O=[N+]([O-])c1ccccc1CCn1ccnc1.
What is the InChIKey of 1-[2-(2-nitrophenyl)ethyl]imidazole?
The InChIKey is KMAJQTYYDCTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-14(16)11-4-2-1-3-10(11)5-7-13-8-6-12-9-13/h1-4,6,8-9H,5,7H2.
What are the key properties of 1-[2-(2-nitrophenyl)ethyl]imidazole?
1-[2-(2-nitrophenyl)ethyl]imidazole has a molecular weight of 217.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-nitrophenyl)ethyl]imidazole is sourced from PubChem (CID 63811296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).