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

C22H18ClF3N4 — CID 134492243

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2ncn(C3CCC(F)(F)CC3)c2-c2ccc3nccn3c2)cc1Cl
InChIInChI=1S/C22H18ClF3N4/c23-17-11-14(1-3-18(17)24)20-21(15-2-4-19-27-9-10-29(19)12-15)30(13-28-20)16-5-7-22(25,26)8-6-16/h1-4,9-13,16H,5-8H2
InChIKeyDASTZVZOCHSBOC-UHFFFAOYSA-N
MW430.86 g/mol
LogP6.41
Rot. Bonds3

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

6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 134492243) has the molecular formula C22H18ClF3N4 and a molecular weight of 430.86 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID134492243
Molecular FormulaC22H18ClF3N4
Molecular Weight430.86 g/mol
Exact Mass430.12
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2ncn(C3CCC(F)(F)CC3)c2-c2ccc3nccn3c2)cc1Cl
InChIInChI=1S/C22H18ClF3N4/c23-17-11-14(1-3-18(17)24)20-21(15-2-4-19-27-9-10-29(19)12-15)30(13-28-20)16-5-7-22(25,26)8-6-16/h1-4,9-13,16H,5-8H2
InChIKeyDASTZVZOCHSBOC-UHFFFAOYSA-N
XLogP6.41
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.86
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine (CID 134492243) is 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine is Fc1ccc(-c2ncn(C3CCC(F)(F)CC3)c2-c2ccc3nccn3c2)cc1Cl.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is DASTZVZOCHSBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4/c23-17-11-14(1-3-18(17)24)20-21(15-2-4-19-27-9-10-29(19)12-15)30(13-28-20)16-5-7-22(25,26)8-6-16/h1-4,9-13,16H,5-8H2.
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine?
6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 430.86 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-(4,4-difluorocyclohexyl)imidazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 134492243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).