N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine

C20H28FN3 — CID 70074424

IUPACN-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine
SMILESFc1ccc(-c2cnc(CCCCCCCNC3CCC3)[nH]2)cc1
InChIInChI=1S/C20H28FN3/c21-17-12-10-16(11-13-17)19-15-23-20(24-19)9-4-2-1-3-5-14-22-18-7-6-8-18/h10-13,15,18,22H,1-9,14H2,(H,23,24)
InChIKeyPHACOZCUYUVRET-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.85
Rot. Bonds10

About N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine

N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine (PubChem CID 70074424) has the molecular formula C20H28FN3 and a molecular weight of 329.46 g/mol. Its IUPAC name is N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine.

Molecular Properties

Compound NameN-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine
PubChem CID70074424
Molecular FormulaC20H28FN3
Molecular Weight329.46 g/mol
Exact Mass329.23
IUPAC NameN-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine
SMILESFc1ccc(-c2cnc(CCCCCCCNC3CCC3)[nH]2)cc1
InChIInChI=1S/C20H28FN3/c21-17-12-10-16(11-13-17)19-15-23-20(24-19)9-4-2-1-3-5-14-22-18-7-6-8-18/h10-13,15,18,22H,1-9,14H2,(H,23,24)
InChIKeyPHACOZCUYUVRET-UHFFFAOYSA-N
XLogP4.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine?
The IUPAC name of N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine (CID 70074424) is N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine.
What is the SMILES notation for N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine?
The canonical SMILES for N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine is Fc1ccc(-c2cnc(CCCCCCCNC3CCC3)[nH]2)cc1.
What is the InChIKey of N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine?
The InChIKey is PHACOZCUYUVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3/c21-17-12-10-16(11-13-17)19-15-23-20(24-19)9-4-2-1-3-5-14-22-18-7-6-8-18/h10-13,15,18,22H,1-9,14H2,(H,23,24).
What are the key properties of N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine?
N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine has a molecular weight of 329.46 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine is sourced from PubChem (CID 70074424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).