(4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride

C17H19ClFN3 — CID 127039484

IUPAC(4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCl.NC1=N[C@@H](Cc2ccc(F)cc2)CN1Cc1ccccc1
InChIInChI=1S/C17H18FN3.ClH/c18-15-8-6-13(7-9-15)10-16-12-21(17(19)20-16)11-14-4-2-1-3-5-14;/h1-9,16H,10-12H2,(H2,19,20);1H/t16-;/m0./s1
InChIKeyIWDSOJBWALGRTQ-NTISSMGPSA-N
MW319.81 g/mol
LogP2.99
Rot. Bonds4

About (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride

(4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride (PubChem CID 127039484) has the molecular formula C17H19ClFN3 and a molecular weight of 319.81 g/mol. Its IUPAC name is (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
PubChem CID127039484
Molecular FormulaC17H19ClFN3
Molecular Weight319.81 g/mol
Exact Mass319.13
IUPAC Name(4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCl.NC1=N[C@@H](Cc2ccc(F)cc2)CN1Cc1ccccc1
InChIInChI=1S/C17H18FN3.ClH/c18-15-8-6-13(7-9-15)10-16-12-21(17(19)20-16)11-14-4-2-1-3-5-14;/h1-9,16H,10-12H2,(H2,19,20);1H/t16-;/m0./s1
InChIKeyIWDSOJBWALGRTQ-NTISSMGPSA-N
XLogP2.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
The IUPAC name of (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride (CID 127039484) is (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride.
What is the SMILES notation for (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
The canonical SMILES for (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride is Cl.NC1=N[C@@H](Cc2ccc(F)cc2)CN1Cc1ccccc1.
What is the InChIKey of (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
The InChIKey is IWDSOJBWALGRTQ-NTISSMGPSA-N. The full InChI is InChI=1S/C17H18FN3.ClH/c18-15-8-6-13(7-9-15)10-16-12-21(17(19)20-16)11-14-4-2-1-3-5-14;/h1-9,16H,10-12H2,(H2,19,20);1H/t16-;/m0./s1.
What are the key properties of (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride?
(4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride has a molecular weight of 319.81 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-4-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride is sourced from PubChem (CID 127039484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).