5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline

C15H18ClN3O — CID 82037690

IUPAC5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline
SMILESNc1cc(Cl)ccc1OC1CCCCC1n1ccnc1
InChIInChI=1S/C15H18ClN3O/c16-11-5-6-14(12(17)9-11)20-15-4-2-1-3-13(15)19-8-7-18-10-19/h5-10,13,15H,1-4,17H2
InChIKeyVTFJHWCFJNWMTF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.68
Rot. Bonds3

About 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline

5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline (PubChem CID 82037690) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline
PubChem CID82037690
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline
SMILESNc1cc(Cl)ccc1OC1CCCCC1n1ccnc1
InChIInChI=1S/C15H18ClN3O/c16-11-5-6-14(12(17)9-11)20-15-4-2-1-3-13(15)19-8-7-18-10-19/h5-10,13,15H,1-4,17H2
InChIKeyVTFJHWCFJNWMTF-UHFFFAOYSA-N
XLogP3.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline?
The IUPAC name of 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline (CID 82037690) is 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline.
What is the SMILES notation for 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline?
The canonical SMILES for 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline is Nc1cc(Cl)ccc1OC1CCCCC1n1ccnc1.
What is the InChIKey of 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline?
The InChIKey is VTFJHWCFJNWMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-11-5-6-14(12(17)9-11)20-15-4-2-1-3-13(15)19-8-7-18-10-19/h5-10,13,15H,1-4,17H2.
What are the key properties of 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline?
5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline has a molecular weight of 291.78 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-imidazol-1-ylcyclohexyl)oxyaniline is sourced from PubChem (CID 82037690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).