N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine

C17H20FN3 — CID 166251781

IUPACN-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
SMILESFc1ccc(C(Cn2ccnc2)NCC2C=CCC2)cc1
InChIInChI=1S/C17H20FN3/c18-16-7-5-15(6-8-16)17(12-21-10-9-19-13-21)20-11-14-3-1-2-4-14/h1,3,5-10,13-14,17,20H,2,4,11-12H2
InChIKeyRBVBDEUVHHRTQH-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.32
Rot. Bonds6

About N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine

N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine (PubChem CID 166251781) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
PubChem CID166251781
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
SMILESFc1ccc(C(Cn2ccnc2)NCC2C=CCC2)cc1
InChIInChI=1S/C17H20FN3/c18-16-7-5-15(6-8-16)17(12-21-10-9-19-13-21)20-11-14-3-1-2-4-14/h1,3,5-10,13-14,17,20H,2,4,11-12H2
InChIKeyRBVBDEUVHHRTQH-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine
CID 166310142
N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 166187485
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)pentan-1-amine
CID 43126715
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
5-[[[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]amino]methyl]-2-[(4-fluorophenyl)methyl]benzoic acid
CID 70157075
N-[[3-(2-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-2-imidazol-1-yl-1-phenylethanamine
CID 74812652
1-[4-(4-fluorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-ol
CID 70526340
dihydroxy(oxo)azanium;1-[2-(4-fluorophenyl)decyl]imidazole
CID 6333710
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
1-(cyclohex-2-en-1-ylmethyl)imidazole
CID 20574509

Frequently Asked Questions

What is the IUPAC name of N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine?
The IUPAC name of N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine (CID 166251781) is N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine?
The canonical SMILES for N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine is Fc1ccc(C(Cn2ccnc2)NCC2C=CCC2)cc1.
What is the InChIKey of N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine?
The InChIKey is RBVBDEUVHHRTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c18-16-7-5-15(6-8-16)17(12-21-10-9-19-13-21)20-11-14-3-1-2-4-14/h1,3,5-10,13-14,17,20H,2,4,11-12H2.
What are the key properties of N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine?
N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine has a molecular weight of 285.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopent-2-en-1-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine is sourced from PubChem (CID 166251781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).