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

C17H22ClN3 — CID 106566925

IUPACN-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine
SMILESCC(Nc1nccn1C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-13(15-9-5-6-10-16(15)18)20-17-19-11-12-21(17)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyAIOIYGXEUCTIKX-UHFFFAOYSA-N
MW303.84 g/mol
LogP5.21
Rot. Bonds4

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

N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine (PubChem CID 106566925) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine
PubChem CID106566925
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine
SMILESCC(Nc1nccn1C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-13(15-9-5-6-10-16(15)18)20-17-19-11-12-21(17)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyAIOIYGXEUCTIKX-UHFFFAOYSA-N
XLogP5.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[1-(3-fluorophenyl)ethyl]imidazol-2-amine
CID 106567027
1-cyclohexyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554339
N-[1-(4-bromophenyl)ethyl]-1-cyclopentylimidazol-2-amine
CID 106566874
1-cyclohexyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561711
N-(2-chloro-6-methylphenyl)-1-cyclopentylimidazol-2-amine
CID 106576276
1-cyclohexyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574874
1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635
1-cyclooctyl-N-phenylimidazol-2-amine
CID 106557142
1-cyclopentyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazol-2-amine
CID 106566619
N-(2-chloro-6-fluorophenyl)-1-cyclopentylimidazol-2-amine
CID 106582343
1-cyclohexyl-N-(2-propan-2-ylcyclohexyl)imidazol-2-amine
CID 106579254
N-(2-tert-butylphenyl)-1-cyclopentylimidazol-2-amine
CID 106575457

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine (CID 106566925) is N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine is CC(Nc1nccn1C1CCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine?
The InChIKey is AIOIYGXEUCTIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-13(15-9-5-6-10-16(15)18)20-17-19-11-12-21(17)14-7-3-2-4-8-14/h5-6,9-14H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine?
N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine has a molecular weight of 303.84 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylimidazol-2-amine is sourced from PubChem (CID 106566925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).