1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one

C16H13ClF3N5O — CID 66576893

IUPAC1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2cc(Cl)nc(C(F)(F)F)n2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C16H13ClF3N5O/c17-12-7-13(23-14(22-12)16(18,19)20)25-6-5-24(15(25)26)11-8-21-4-3-10(11)9-1-2-9/h3-4,7-9H,1-2,5-6H2
InChIKeyDSMWJQYRMIWVKM-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.87
Rot. Bonds3

About 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one

1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 66576893) has the molecular formula C16H13ClF3N5O and a molecular weight of 383.76 g/mol. Its IUPAC name is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
PubChem CID66576893
Molecular FormulaC16H13ClF3N5O
Molecular Weight383.76 g/mol
Exact Mass383.08
IUPAC Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESO=C1N(c2cc(Cl)nc(C(F)(F)F)n2)CCN1c1cnccc1C1CC1
InChIInChI=1S/C16H13ClF3N5O/c17-12-7-13(23-14(22-12)16(18,19)20)25-6-5-24(15(25)26)11-8-21-4-3-10(11)9-1-2-9/h3-4,7-9H,1-2,5-6H2
InChIKeyDSMWJQYRMIWVKM-UHFFFAOYSA-N
XLogP3.87
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (CID 66576893) is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is O=C1N(c2cc(Cl)nc(C(F)(F)F)n2)CCN1c1cnccc1C1CC1.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is DSMWJQYRMIWVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5O/c17-12-7-13(23-14(22-12)16(18,19)20)25-6-5-24(15(25)26)11-8-21-4-3-10(11)9-1-2-9/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 383.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 66576893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).