N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine

C24H20ClF2N3 — CID 69232263

IUPACN-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H20ClF2N3/c25-19-5-11-23(12-6-19)30-16-22(15-28-14-18-3-9-21(27)10-4-18)29-24(30)13-17-1-7-20(26)8-2-17/h1-12,16,28H,13-15H2
InChIKeyCIWULBLOUKZNFC-UHFFFAOYSA-N
MW423.89 g/mol
LogP5.68
Rot. Bonds7

About N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine

N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 69232263) has the molecular formula C24H20ClF2N3 and a molecular weight of 423.89 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine
PubChem CID69232263
Molecular FormulaC24H20ClF2N3
Molecular Weight423.89 g/mol
Exact Mass423.13
IUPAC NameN-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H20ClF2N3/c25-19-5-11-23(12-6-19)30-16-22(15-28-14-18-3-9-21(27)10-4-18)29-24(30)13-17-1-7-20(26)8-2-17/h1-12,16,28H,13-15H2
InChIKeyCIWULBLOUKZNFC-UHFFFAOYSA-N
XLogP5.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.89
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine (CID 69232263) is N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2cn(-c3ccc(Cl)cc3)c(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is CIWULBLOUKZNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3/c25-19-5-11-23(12-6-19)30-16-22(15-28-14-18-3-9-21(27)10-4-18)29-24(30)13-17-1-7-20(26)8-2-17/h1-12,16,28H,13-15H2.
What are the key properties of N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine?
N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 423.89 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 69232263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).