1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine

C17H22ClN3 — CID 106568112

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
SMILESClc1ccc(CCn2ccnc2NC2CCCCC2)cc1
InChIInChI=1S/C17H22ClN3/c18-15-8-6-14(7-9-15)10-12-21-13-11-19-17(21)20-16-4-2-1-3-5-16/h6-9,11,13,16H,1-5,10,12H2,(H,19,20)
InChIKeyAZGAGSXYLKGWFV-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.52
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine

1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine (PubChem CID 106568112) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
PubChem CID106568112
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
SMILESClc1ccc(CCn2ccnc2NC2CCCCC2)cc1
InChIInChI=1S/C17H22ClN3/c18-15-8-6-14(7-9-15)10-12-21-13-11-19-17(21)20-16-4-2-1-3-5-16/h6-9,11,13,16H,1-5,10,12H2,(H,19,20)
InChIKeyAZGAGSXYLKGWFV-UHFFFAOYSA-N
XLogP4.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine (CID 106568112) is 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine is Clc1ccc(CCn2ccnc2NC2CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The InChIKey is AZGAGSXYLKGWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c18-15-8-6-14(7-9-15)10-12-21-13-11-19-17(21)20-16-4-2-1-3-5-16/h6-9,11,13,16H,1-5,10,12H2,(H,19,20).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine has a molecular weight of 303.84 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine is sourced from PubChem (CID 106568112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).