(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine

C17H18FN3 — CID 16682615

IUPAC(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](c2ccccc2)N1CCc1cccc(F)c1
InChIInChI=1S/C17H18FN3/c18-15-8-4-5-13(11-15)9-10-21-16(12-20-17(21)19)14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H2,19,20)/t16-/m1/s1
InChIKeyYRMPCBTVONYZRS-MRXNPFEDSA-N
MW283.35 g/mol
LogP2.74
Rot. Bonds4

About (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine

(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 16682615) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID16682615
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](c2ccccc2)N1CCc1cccc(F)c1
InChIInChI=1S/C17H18FN3/c18-15-8-4-5-13(11-15)9-10-21-16(12-20-17(21)19)14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H2,19,20)/t16-/m1/s1
InChIKeyYRMPCBTVONYZRS-MRXNPFEDSA-N
XLogP2.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tpi 1361-17
CID 11305934
1,2-Dibenzylguanidine
CID 33142
(4R,5S)-2-[(2-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11209712
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
(4R,5S)-2-[2-(2-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11416652
(4R,5S)-2-[(2,3-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11462177
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
(4R,5S)-2-[2-(3-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388772
(4R,5S)-2-[2-(4-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388773
(4R,5S)-2-[(3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388973
(4R,5S)-2-[(4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388975
(4R,5S)-2-[2-(3,4-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388990

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine (CID 16682615) is (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine is NC1=NC[C@H](c2ccccc2)N1CCc1cccc(F)c1.
What is the InChIKey of (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is YRMPCBTVONYZRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18FN3/c18-15-8-4-5-13(11-15)9-10-21-16(12-20-17(21)19)14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H2,19,20)/t16-/m1/s1.
What are the key properties of (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 283.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-(3-fluorophenyl)ethyl]-5-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).