(5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine

C15H22FN3 — CID 23640808

IUPAC(5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCCCC[C@@H]1CN=C(N)N1CCc1cccc(F)c1
InChIInChI=1S/C15H22FN3/c1-2-3-7-14-11-18-15(17)19(14)9-8-12-5-4-6-13(16)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3,(H2,17,18)/t14-/m1/s1
InChIKeyWIRDRFINDLFOHH-CQSZACIVSA-N
MW263.36 g/mol
LogP2.56
Rot. Bonds6

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

(5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 23640808) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID23640808
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name(5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESCCCC[C@@H]1CN=C(N)N1CCc1cccc(F)c1
InChIInChI=1S/C15H22FN3/c1-2-3-7-14-11-18-15(17)19(14)9-8-12-5-4-6-13(16)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3,(H2,17,18)/t14-/m1/s1
InChIKeyWIRDRFINDLFOHH-CQSZACIVSA-N
XLogP2.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
(5S)-5-[4-[(4S)-4-butyl-3-heptyl-2-iminoimidazolidin-1-yl]butyl]-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydroimidazol-2-amine
CID 118735441
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
[(4R)-2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
CID 135386459
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135387194
6,6-Dimethyl-1-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 24196215
(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102539
(5S)-5-benzyl-1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102542
(5S)-5-benzyl-1-(cyclohexylmethyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102546

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine (CID 23640808) is (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine is CCCC[C@@H]1CN=C(N)N1CCc1cccc(F)c1.
What is the InChIKey of (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is WIRDRFINDLFOHH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22FN3/c1-2-3-7-14-11-18-15(17)19(14)9-8-12-5-4-6-13(16)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3,(H2,17,18)/t14-/m1/s1.
What are the key properties of (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
(5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 263.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butyl-1-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).