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

C17H22ClN3 — CID 106565810

IUPAC1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
SMILESCC(c1ccc(Cl)cc1)n1ccnc1NC1CCCCC1
InChIInChI=1S/C17H22ClN3/c1-13(14-7-9-15(18)10-8-14)21-12-11-19-17(21)20-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,19,20)
InChIKeyWPUWEBSLMXGBRU-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.89
Rot. Bonds4

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

1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine (PubChem CID 106565810) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
PubChem CID106565810
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine
SMILESCC(c1ccc(Cl)cc1)n1ccnc1NC1CCCCC1
InChIInChI=1S/C17H22ClN3/c1-13(14-7-9-15(18)10-8-14)21-12-11-19-17(21)20-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,19,20)
InChIKeyWPUWEBSLMXGBRU-UHFFFAOYSA-N
XLogP4.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine (CID 106565810) is 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine is CC(c1ccc(Cl)cc1)n1ccnc1NC1CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
The InChIKey is WPUWEBSLMXGBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-13(14-7-9-15(18)10-8-14)21-12-11-19-17(21)20-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,19,20).
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine?
1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine has a molecular weight of 303.84 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-N-cyclohexylimidazol-2-amine is sourced from PubChem (CID 106565810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).