N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine

C18H18FN3 — CID 10379759

IUPACN-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1cnc(-c2ccccc2F)[nH]1
InChIInChI=1S/C18H18FN3/c1-22(12-14-7-3-2-4-8-14)13-15-11-20-18(21-15)16-9-5-6-10-17(16)19/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyNWACMLQTMIWMLO-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.85
Rot. Bonds5

About N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine

N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 10379759) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
PubChem CID10379759
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC NameN-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1cnc(-c2ccccc2F)[nH]1
InChIInChI=1S/C18H18FN3/c1-22(12-14-7-3-2-4-8-14)13-15-11-20-18(21-15)16-9-5-6-10-17(16)19/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyNWACMLQTMIWMLO-UHFFFAOYSA-N
XLogP3.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine (CID 10379759) is N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1cnc(-c2ccccc2F)[nH]1.
What is the InChIKey of N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is NWACMLQTMIWMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c1-22(12-14-7-3-2-4-8-14)13-15-11-20-18(21-15)16-9-5-6-10-17(16)19/h2-11H,12-13H2,1H3,(H,20,21).
What are the key properties of N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine?
N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 295.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 10379759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).