(4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine

C22H19ClFN3 — CID 68568712

IUPAC(4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(CNC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1Cl
InChIInChI=1S/C22H19ClFN3/c23-19-17(12-7-13-18(19)24)14-25-22-26-20(15-8-3-1-4-9-15)21(27-22)16-10-5-2-6-11-16/h1-13,20-21H,14H2,(H2,25,26,27)/t20-,21+
InChIKeyUQKQTYXMMOMKOB-OYRHEFFESA-N
MW379.87 g/mol
LogP5.01
Rot. Bonds4

About (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine

(4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 68568712) has the molecular formula C22H19ClFN3 and a molecular weight of 379.87 g/mol. Its IUPAC name is (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name(4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID68568712
Molecular FormulaC22H19ClFN3
Molecular Weight379.87 g/mol
Exact Mass379.13
IUPAC Name(4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1cccc(CNC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1Cl
InChIInChI=1S/C22H19ClFN3/c23-19-17(12-7-13-18(19)24)14-25-22-26-20(15-8-3-1-4-9-15)21(27-22)16-10-5-2-6-11-16/h1-13,20-21H,14H2,(H2,25,26,27)/t20-,21+
InChIKeyUQKQTYXMMOMKOB-OYRHEFFESA-N
XLogP5.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine (CID 68568712) is (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine is Fc1cccc(CNC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1Cl.
What is the InChIKey of (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UQKQTYXMMOMKOB-OYRHEFFESA-N. The full InChI is InChI=1S/C22H19ClFN3/c23-19-17(12-7-13-18(19)24)14-25-22-26-20(15-8-3-1-4-9-15)21(27-22)16-10-5-2-6-11-16/h1-13,20-21H,14H2,(H2,25,26,27)/t20-,21+.
What are the key properties of (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine?
(4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 379.87 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-N-[(2-chloro-3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 68568712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).