N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine

C23H21FN4 — CID 124781664

IUPACN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2nn(Cc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H21FN4/c24-21-13-11-18(12-14-21)15-25-16-22-23(20-9-5-2-6-10-20)27-28(26-22)17-19-7-3-1-4-8-19/h1-14,25H,15-17H2
InChIKeyAIMDOOKBOIPBOI-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.42
Rot. Bonds7

About N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 124781664) has the molecular formula C23H21FN4 and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID124781664
Molecular FormulaC23H21FN4
Molecular Weight372.45 g/mol
Exact Mass372.18
IUPAC NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(CNCc2nn(Cc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H21FN4/c24-21-13-11-18(12-14-21)15-25-16-22-23(20-9-5-2-6-10-20)27-28(26-22)17-19-7-3-1-4-8-19/h1-14,25H,15-17H2
InChIKeyAIMDOOKBOIPBOI-UHFFFAOYSA-N
XLogP4.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (CID 124781664) is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is Fc1ccc(CNCc2nn(Cc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is AIMDOOKBOIPBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4/c24-21-13-11-18(12-14-21)15-25-16-22-23(20-9-5-2-6-10-20)27-28(26-22)17-19-7-3-1-4-8-19/h1-14,25H,15-17H2.
What are the key properties of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 372.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 124781664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).