2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid

C23H16ClF3N4O3 — CID 11656082

IUPAC2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
SMILESO=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n2ccnc12
InChIInChI=1S/C23H16ClF3N4O3/c24-20-17(12-19(32)33)21-28-9-10-31(21)18(30-20)11-13-1-7-16(8-2-13)29-22(34)14-3-5-15(6-4-14)23(25,26)27/h1-10H,11-12H2,(H,29,34)(H,32,33)
InChIKeyIMNSAFKHCASFNR-UHFFFAOYSA-N
MW488.85 g/mol
LogP4.87
Rot. Bonds6

About 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid

2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid (PubChem CID 11656082) has the molecular formula C23H16ClF3N4O3 and a molecular weight of 488.85 g/mol. Its IUPAC name is 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
PubChem CID11656082
Molecular FormulaC23H16ClF3N4O3
Molecular Weight488.85 g/mol
Exact Mass488.09
IUPAC Name2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
SMILESO=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n2ccnc12
InChIInChI=1S/C23H16ClF3N4O3/c24-20-17(12-19(32)33)21-28-9-10-31(21)18(30-20)11-13-1-7-16(8-2-13)29-22(34)14-3-5-15(6-4-14)23(25,26)27/h1-10H,11-12H2,(H,29,34)(H,32,33)
InChIKeyIMNSAFKHCASFNR-UHFFFAOYSA-N
XLogP4.87
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.85
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The IUPAC name of 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid (CID 11656082) is 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid is O=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n2ccnc12.
What is the InChIKey of 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
The InChIKey is IMNSAFKHCASFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O3/c24-20-17(12-19(32)33)21-28-9-10-31(21)18(30-20)11-13-1-7-16(8-2-13)29-22(34)14-3-5-15(6-4-14)23(25,26)27/h1-10H,11-12H2,(H,29,34)(H,32,33).
What are the key properties of 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid?
2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid has a molecular weight of 488.85 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid is sourced from PubChem (CID 11656082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).