6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine

C19H13F5N4 — CID 122510598

IUPAC6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C(F)F)n3c2)cc1
InChIInChI=1S/C19H13F5N4/c20-13-4-1-11(2-5-13)17-18(27(10-26-17)9-15(21)22)12-3-6-16-25-7-14(19(23)24)28(16)8-12/h1-8,10,15,19H,9H2
InChIKeyRNLANHFGNKVDNG-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.21
Rot. Bonds5

About 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 122510598) has the molecular formula C19H13F5N4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine
PubChem CID122510598
Molecular FormulaC19H13F5N4
Molecular Weight392.33 g/mol
Exact Mass392.11
IUPAC Name6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C(F)F)n3c2)cc1
InChIInChI=1S/C19H13F5N4/c20-13-4-1-11(2-5-13)17-18(27(10-26-17)9-15(21)22)12-3-6-16-25-7-14(19(23)24)28(16)8-12/h1-8,10,15,19H,9H2
InChIKeyRNLANHFGNKVDNG-UHFFFAOYSA-N
XLogP5.21
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine (CID 122510598) is 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine is Fc1ccc(-c2ncn(CC(F)F)c2-c2ccc3ncc(C(F)F)n3c2)cc1.
What is the InChIKey of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is RNLANHFGNKVDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N4/c20-13-4-1-11(2-5-13)17-18(27(10-26-17)9-15(21)22)12-3-6-16-25-7-14(19(23)24)28(16)8-12/h1-8,10,15,19H,9H2.
What are the key properties of 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine?
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 392.33 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-(difluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 122510598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).