(2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide

C25H24F3N5OS — CID 24819988

IUPAC(2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C25H24F3N5OS/c1-16-8-10-17(11-9-16)19-15-35-24(31-19)33-13-4-7-21(33)22(34)29-12-14-32-20-6-3-2-5-18(20)30-23(32)25(26,27)28/h2-3,5-6,8-11,15,21H,4,7,12-14H2,1H3,(H,29,34)/t21-/m1/s1
InChIKeyBHGNMJSDBYRLKR-OAQYLSRUSA-N
MW499.56 g/mol
LogP5.27
Rot. Bonds6

About (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide

(2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 24819988) has the molecular formula C25H24F3N5OS and a molecular weight of 499.56 g/mol. Its IUPAC name is (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID24819988
Molecular FormulaC25H24F3N5OS
Molecular Weight499.56 g/mol
Exact Mass499.17
IUPAC Name(2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1
InChIInChI=1S/C25H24F3N5OS/c1-16-8-10-17(11-9-16)19-15-35-24(31-19)33-13-4-7-21(33)22(34)29-12-14-32-20-6-3-2-5-18(20)30-23(32)25(26,27)28/h2-3,5-6,8-11,15,21H,4,7,12-14H2,1H3,(H,29,34)/t21-/m1/s1
InChIKeyBHGNMJSDBYRLKR-OAQYLSRUSA-N
XLogP5.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide (CID 24819988) is (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide is Cc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1.
What is the InChIKey of (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BHGNMJSDBYRLKR-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24F3N5OS/c1-16-8-10-17(11-9-16)19-15-35-24(31-19)33-13-4-7-21(33)22(34)29-12-14-32-20-6-3-2-5-18(20)30-23(32)25(26,27)28/h2-3,5-6,8-11,15,21H,4,7,12-14H2,1H3,(H,29,34)/t21-/m1/s1.
What are the key properties of (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide?
(2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24819988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).