5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine

C17H20FN5 — CID 154019544

IUPAC5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine
SMILESCC(C)(CN1NC=CC=C1c1cnc(N)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN5/c1-17(2,12-5-7-13(18)8-6-12)11-23-15(4-3-9-21-23)14-10-20-16(19)22-14/h3-10,21H,11H2,1-2H3,(H3,19,20,22)
InChIKeyNASSUPMCTYZXAF-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.78
Rot. Bonds4

About 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine

5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine (PubChem CID 154019544) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine
PubChem CID154019544
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine
SMILESCC(C)(CN1NC=CC=C1c1cnc(N)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN5/c1-17(2,12-5-7-13(18)8-6-12)11-23-15(4-3-9-21-23)14-10-20-16(19)22-14/h3-10,21H,11H2,1-2H3,(H3,19,20,22)
InChIKeyNASSUPMCTYZXAF-UHFFFAOYSA-N
XLogP2.78
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine
CID 158008180
6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine
CID 118368939
5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine
CID 155795231
5-phenyl-1H-imidazol-2-amine;propane
CID 143872640
2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534
5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 66202105
copper(1+);5-phenyl-1H-imidazol-2-amine;iodide
CID 175039174
4-[2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-5-yl]benzamide
CID 54591637
1-N-[2-(4-bromophenyl)-2-methylpropyl]-4-fluorobenzene-1,2-diamine
CID 115124889
5-(2-methyl-4-pyridinyl)-1H-imidazol-2-amine
CID 20561075
2-(4-fluorophenyl)pent-4-en-2-amine
CID 130060488
6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
CID 67451769

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine?
The IUPAC name of 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine (CID 154019544) is 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine is CC(C)(CN1NC=CC=C1c1cnc(N)[nH]1)c1ccc(F)cc1.
What is the InChIKey of 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine?
The InChIKey is NASSUPMCTYZXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c1-17(2,12-5-7-13(18)8-6-12)11-23-15(4-3-9-21-23)14-10-20-16(19)22-14/h3-10,21H,11H2,1-2H3,(H3,19,20,22).
What are the key properties of 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine?
5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine has a molecular weight of 313.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-fluorophenyl)-2-methylpropyl]-1H-pyridazin-3-yl]-1H-imidazol-2-amine is sourced from PubChem (CID 154019544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).