N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine

C17H15F3N4 — CID 133359241

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C17H15F3N4/c18-17(19,20)15-5-6-22-16(9-15)23-10-13-1-3-14(4-2-13)11-24-8-7-21-12-24/h1-9,12H,10-11H2,(H,22,23)
InChIKeyNMJMSMBRZLRXNR-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.96
Rot. Bonds5

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 133359241) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID133359241
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C17H15F3N4/c18-17(19,20)15-5-6-22-16(9-15)23-10-13-1-3-14(4-2-13)11-24-8-7-21-12-24/h1-9,12H,10-11H2,(H,22,23)
InChIKeyNMJMSMBRZLRXNR-UHFFFAOYSA-N
XLogP3.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133400484
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 133318037
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-2-(trifluoromethyl)benzonitrile
CID 133359179
2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine
CID 133371371
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
2-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60658022

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 133359241) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCc2ccc(Cn3ccnc3)cc2)c1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NMJMSMBRZLRXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c18-17(19,20)15-5-6-22-16(9-15)23-10-13-1-3-14(4-2-13)11-24-8-7-21-12-24/h1-9,12H,10-11H2,(H,22,23).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 332.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133359241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).