4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C15H20F3N5 — CID 56879156

IUPAC4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1C1c2nc[nH]c2CCN1CCC(F)(F)F
InChIInChI=1S/C15H20F3N5/c1-2-6-23-9-5-19-14(23)13-12-11(20-10-21-12)3-7-22(13)8-4-15(16,17)18/h5,9-10,13H,2-4,6-8H2,1H3,(H,20,21)
InChIKeyXQPKIMKAVKYADS-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.92
Rot. Bonds5

About 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56879156) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56879156
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1ccnc1C1c2nc[nH]c2CCN1CCC(F)(F)F
InChIInChI=1S/C15H20F3N5/c1-2-6-23-9-5-19-14(23)13-12-11(20-10-21-12)3-7-22(13)8-4-15(16,17)18/h5,9-10,13H,2-4,6-8H2,1H3,(H,20,21)
InChIKeyXQPKIMKAVKYADS-UHFFFAOYSA-N
XLogP2.92
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56879156) is 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCn1ccnc1C1c2nc[nH]c2CCN1CCC(F)(F)F.
What is the InChIKey of 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XQPKIMKAVKYADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-2-6-23-9-5-19-14(23)13-12-11(20-10-21-12)3-7-22(13)8-4-15(16,17)18/h5,9-10,13H,2-4,6-8H2,1H3,(H,20,21).
What are the key properties of 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 327.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56879156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).