1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C15H13F3N4O — CID 4043614

IUPAC1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C1N(Cc2cccnc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)12-3-4-13(20-9-12)22-7-6-21(14(22)23)10-11-2-1-5-19-8-11/h1-5,8-9H,6-7,10H2
InChIKeyCIVGBNGXQQIYHZ-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.94
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 4043614) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID4043614
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C1N(Cc2cccnc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)12-3-4-13(20-9-12)22-7-6-21(14(22)23)10-11-2-1-5-19-8-11/h1-5,8-9H,6-7,10H2
InChIKeyCIVGBNGXQQIYHZ-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 4043614) is 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is O=C1N(Cc2cccnc2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is CIVGBNGXQQIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)12-3-4-13(20-9-12)22-7-6-21(14(22)23)10-11-2-1-5-19-8-11/h1-5,8-9H,6-7,10H2.
What are the key properties of 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 322.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 4043614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).