N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine

C15H17ClFN3 — CID 107371348

IUPACN-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine
SMILESFc1cc(Cl)cc(Nc2nccn2C2CCCCC2)c1
InChIInChI=1S/C15H17ClFN3/c16-11-8-12(17)10-13(9-11)19-15-18-6-7-20(15)14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,18,19)
InChIKeyIQUFTNIDHZCUOU-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.92
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine

N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine (PubChem CID 107371348) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine
PubChem CID107371348
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine
SMILESFc1cc(Cl)cc(Nc2nccn2C2CCCCC2)c1
InChIInChI=1S/C15H17ClFN3/c16-11-8-12(17)10-13(9-11)19-15-18-6-7-20(15)14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,18,19)
InChIKeyIQUFTNIDHZCUOU-UHFFFAOYSA-N
XLogP4.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine (CID 107371348) is N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine is Fc1cc(Cl)cc(Nc2nccn2C2CCCCC2)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine?
The InChIKey is IQUFTNIDHZCUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c16-11-8-12(17)10-13(9-11)19-15-18-6-7-20(15)14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,18,19).
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine?
N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine has a molecular weight of 293.77 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-cyclohexylimidazol-2-amine is sourced from PubChem (CID 107371348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).