1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine

C26H23F4N3 — CID 71181650

IUPAC1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cncn1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H23F4N3/c1-32(15-19-4-12-24(27)13-5-19)17-25-14-31-18-33(25)16-20-2-6-21(7-3-20)22-8-10-23(11-9-22)26(28,29)30/h2-14,18H,15-17H2,1H3
InChIKeyJDVIMXMZSXMLSB-UHFFFAOYSA-N
MW453.48 g/mol
LogP6.39
Rot. Bonds7

About 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine

1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine (PubChem CID 71181650) has the molecular formula C26H23F4N3 and a molecular weight of 453.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine
PubChem CID71181650
Molecular FormulaC26H23F4N3
Molecular Weight453.48 g/mol
Exact Mass453.18
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cncn1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H23F4N3/c1-32(15-19-4-12-24(27)13-5-19)17-25-14-31-18-33(25)16-20-2-6-21(7-3-20)22-8-10-23(11-9-22)26(28,29)30/h2-14,18H,15-17H2,1H3
InChIKeyJDVIMXMZSXMLSB-UHFFFAOYSA-N
XLogP6.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine (CID 71181650) is 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine is CN(Cc1ccc(F)cc1)Cc1cncn1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine?
The InChIKey is JDVIMXMZSXMLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N3/c1-32(15-19-4-12-24(27)13-5-19)17-25-14-31-18-33(25)16-20-2-6-21(7-3-20)22-8-10-23(11-9-22)26(28,29)30/h2-14,18H,15-17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine?
1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine has a molecular weight of 453.48 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine is sourced from PubChem (CID 71181650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).