5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine

C25H25F3N8 — CID 24948871

IUPAC5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine
SMILESFC(F)(F)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)cc1
InChIInChI=1S/C25H25F3N8/c26-25(27,28)21-20(35-24(36-21)18-4-2-10-30-18)14-5-7-15(8-6-14)22-31-11-16(12-32-22)19-13-33-23(34-19)17-3-1-9-29-17/h5-8,11-13,17-18,29-30H,1-4,9-10H2,(H,33,34)(H,35,36)/t17-,18-/m0/s1
InChIKeyLGFRESAGRDCJTB-ROUUACIJSA-N
MW494.53 g/mol
LogP4.79
Rot. Bonds5

About 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine

5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine (PubChem CID 24948871) has the molecular formula C25H25F3N8 and a molecular weight of 494.53 g/mol. Its IUPAC name is 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine
PubChem CID24948871
Molecular FormulaC25H25F3N8
Molecular Weight494.53 g/mol
Exact Mass494.22
IUPAC Name5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine
SMILESFC(F)(F)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)cc1
InChIInChI=1S/C25H25F3N8/c26-25(27,28)21-20(35-24(36-21)18-4-2-10-30-18)14-5-7-15(8-6-14)22-31-11-16(12-32-22)19-13-33-23(34-19)17-3-1-9-29-17/h5-8,11-13,17-18,29-30H,1-4,9-10H2,(H,33,34)(H,35,36)/t17-,18-/m0/s1
InChIKeyLGFRESAGRDCJTB-ROUUACIJSA-N
XLogP4.79
TPSA107.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine?
The IUPAC name of 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine (CID 24948871) is 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine.
What is the SMILES notation for 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine?
The canonical SMILES for 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine is FC(F)(F)c1[nH]c([C@@H]2CCCN2)nc1-c1ccc(-c2ncc(-c3cnc([C@@H]4CCCN4)[nH]3)cn2)cc1.
What is the InChIKey of 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine?
The InChIKey is LGFRESAGRDCJTB-ROUUACIJSA-N. The full InChI is InChI=1S/C25H25F3N8/c26-25(27,28)21-20(35-24(36-21)18-4-2-10-30-18)14-5-7-15(8-6-14)22-31-11-16(12-32-22)19-13-33-23(34-19)17-3-1-9-29-17/h5-8,11-13,17-18,29-30H,1-4,9-10H2,(H,33,34)(H,35,36)/t17-,18-/m0/s1.
What are the key properties of 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine?
5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine has a molecular weight of 494.53 g/mol, XLogP of 4.79, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]pyrimidine is sourced from PubChem (CID 24948871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).