N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine

C30H26FN3 — CID 68862877

IUPACN-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine
SMILESFc1ccc(CNC(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26FN3/c31-27-18-16-23(17-19-27)20-33-29(28-21-32-22-34-28)30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21-22,29,33H,20H2,(H,32,34)
InChIKeyPRDFKNOGFSUCLC-UHFFFAOYSA-N
MW447.56 g/mol
LogP6.41
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine

N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine (PubChem CID 68862877) has the molecular formula C30H26FN3 and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine
PubChem CID68862877
Molecular FormulaC30H26FN3
Molecular Weight447.56 g/mol
Exact Mass447.21
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine
SMILESFc1ccc(CNC(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26FN3/c31-27-18-16-23(17-19-27)20-33-29(28-21-32-22-34-28)30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21-22,29,33H,20H2,(H,32,34)
InChIKeyPRDFKNOGFSUCLC-UHFFFAOYSA-N
XLogP6.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine (CID 68862877) is N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine is Fc1ccc(CNC(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine?
The InChIKey is PRDFKNOGFSUCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3/c31-27-18-16-23(17-19-27)20-33-29(28-21-32-22-34-28)30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21-22,29,33H,20H2,(H,32,34).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine?
N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine has a molecular weight of 447.56 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanamine is sourced from PubChem (CID 68862877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).