2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol

C11H17N3O3 — CID 142498404

IUPAC2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol
SMILESO=[N+]([O-])c1cn(C2CCC(CCO)CC2)cn1
InChIInChI=1S/C11H17N3O3/c15-6-5-9-1-3-10(4-2-9)13-7-11(12-8-13)14(16)17/h7-10,15H,1-6H2
InChIKeyYDNGOGKWGHNERW-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol

2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol (PubChem CID 142498404) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol
PubChem CID142498404
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol
SMILESO=[N+]([O-])c1cn(C2CCC(CCO)CC2)cn1
InChIInChI=1S/C11H17N3O3/c15-6-5-9-1-3-10(4-2-9)13-7-11(12-8-13)14(16)17/h7-10,15H,1-6H2
InChIKeyYDNGOGKWGHNERW-UHFFFAOYSA-N
XLogP1.90
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol?
The IUPAC name of 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol (CID 142498404) is 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol?
The canonical SMILES for 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol is O=[N+]([O-])c1cn(C2CCC(CCO)CC2)cn1.
What is the InChIKey of 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol?
The InChIKey is YDNGOGKWGHNERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-6-5-9-1-3-10(4-2-9)13-7-11(12-8-13)14(16)17/h7-10,15H,1-6H2.
What are the key properties of 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol?
2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol has a molecular weight of 239.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol is sourced from PubChem (CID 142498404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).