5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

C20H20F3N5O2 — CID 166004374

IUPAC5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(C2=NCCN2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)13-2-4-17(27-10-13)30-14-5-8-28(11-14)16-3-1-12(9-15(16)18(24)29)19-25-6-7-26-19/h1-4,9-10,14H,5-8,11H2,(H2,24,29)(H,25,26)/t14-/m1/s1
InChIKeyDZHSCBRBJWFFOD-CQSZACIVSA-N
MW419.41 g/mol
LogP2.21
Rot. Bonds5

About 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide

5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (PubChem CID 166004374) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
PubChem CID166004374
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide
SMILESNC(=O)c1cc(C2=NCCN2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)13-2-4-17(27-10-13)30-14-5-8-28(11-14)16-3-1-12(9-15(16)18(24)29)19-25-6-7-26-19/h1-4,9-10,14H,5-8,11H2,(H2,24,29)(H,25,26)/t14-/m1/s1
InChIKeyDZHSCBRBJWFFOD-CQSZACIVSA-N
XLogP2.21
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide (CID 166004374) is 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is NC(=O)c1cc(C2=NCCN2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is DZHSCBRBJWFFOD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)13-2-4-17(27-10-13)30-14-5-8-28(11-14)16-3-1-12(9-15(16)18(24)29)19-25-6-7-26-19/h1-4,9-10,14H,5-8,11H2,(H2,24,29)(H,25,26)/t14-/m1/s1.
What are the key properties of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide?
5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 419.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 166004374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).