2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine

C16H12F4N4 — CID 133371371

IUPAC2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2ccc(Cn3ccnc3)cc2)c1F
InChIInChI=1S/C16H12F4N4/c17-12-14(13(18)16(20)23-15(12)19)22-7-10-1-3-11(4-2-10)8-24-6-5-21-9-24/h1-6,9H,7-8H2,(H,22,23)
InChIKeySMFHHKHJQJUMJM-UHFFFAOYSA-N
MW336.29 g/mol
LogP3.49
Rot. Bonds5

About 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine (PubChem CID 133371371) has the molecular formula C16H12F4N4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine
PubChem CID133371371
Molecular FormulaC16H12F4N4
Molecular Weight336.29 g/mol
Exact Mass336.10
IUPAC Name2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2ccc(Cn3ccnc3)cc2)c1F
InChIInChI=1S/C16H12F4N4/c17-12-14(13(18)16(20)23-15(12)19)22-7-10-1-3-11(4-2-10)8-24-6-5-21-9-24/h1-6,9H,7-8H2,(H,22,23)
InChIKeySMFHHKHJQJUMJM-UHFFFAOYSA-N
XLogP3.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]-2-(trifluoromethyl)benzonitrile
CID 133359179
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133359241
3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133283472
6-chloro-5-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylpyrimidin-4-amine
CID 133359214
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 133318037
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133400484
6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine
CID 133287760
1-tert-butyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110965951

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine (CID 133371371) is 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine is Fc1nc(F)c(F)c(NCc2ccc(Cn3ccnc3)cc2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine?
The InChIKey is SMFHHKHJQJUMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4/c17-12-14(13(18)16(20)23-15(12)19)22-7-10-1-3-11(4-2-10)8-24-6-5-21-9-24/h1-6,9H,7-8H2,(H,22,23).
What are the key properties of 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine has a molecular weight of 336.29 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 133371371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).