1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

C16H18F3N3O2 — CID 12878481

IUPAC1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESOC(CNC1CC1)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22)
InChIKeyRCTCJGLBICXHON-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.59
Rot. Bonds7

About 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (PubChem CID 12878481) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
PubChem CID12878481
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESOC(CNC1CC1)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22)
InChIKeyRCTCJGLBICXHON-UHFFFAOYSA-N
XLogP2.59
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (CID 12878481) is 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is OC(CNC1CC1)COc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The InChIKey is RCTCJGLBICXHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)14-8-21-15(22-14)10-1-5-13(6-2-10)24-9-12(23)7-20-11-3-4-11/h1-2,5-6,8,11-12,20,23H,3-4,7,9H2,(H,21,22).
What are the key properties of 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol has a molecular weight of 341.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 12878481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).