5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine

C16H22FN3 — CID 79505667

IUPAC5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCCCCC2)N1c1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c17-13-7-9-14(10-8-13)20-15(11-19-16(20)18)12-5-3-1-2-4-6-12/h7-10,12,15H,1-6,11H2,(H2,18,19)
InChIKeyJPEAZENRPUEKMQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.30
Rot. Bonds2

About 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine

5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505667) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505667
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCCCCC2)N1c1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c17-13-7-9-14(10-8-13)20-15(11-19-16(20)18)12-5-3-1-2-4-6-12/h7-10,12,15H,1-6,11H2,(H2,18,19)
InChIKeyJPEAZENRPUEKMQ-UHFFFAOYSA-N
XLogP3.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505290
5-cyclopentyl-1-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521373
5-cyclopropyl-1-(3-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79520573
1-(3-fluorophenyl)-5-(oxan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79514198
5-(3,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 106534625
1-(4-chlorophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 79521626
5-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499543
5-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79500344
1-(4-methoxyphenyl)-5-(thiolan-3-yl)-4,5-dihydroimidazol-2-amine
CID 107133895
5-(5-ethylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505287
5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 102845779
1-(4-fluorophenyl)-5-(6-methyl-3-pyridinyl)-4,5-dihydroimidazol-2-amine
CID 104824147

Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79505667) is 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(C2CCCCCC2)N1c1ccc(F)cc1.
What is the InChIKey of 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is JPEAZENRPUEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-13-7-9-14(10-8-13)20-15(11-19-16(20)18)12-5-3-1-2-4-6-12/h7-10,12,15H,1-6,11H2,(H2,18,19).
What are the key properties of 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).