5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine

C27H17F2N3S — CID 59130538

IUPAC5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5cc6ccccc6s5)cc4)cc-3n2)c1F
InChIInChI=1S/C27H17F2N3S/c28-21-6-3-5-20(26(21)29)27-30-22-12-13-32(16-23(22)31-27)15-17-8-10-18(11-9-17)25-14-19-4-1-2-7-24(19)33-25/h1-14,16H,15H2
InChIKeyUJRGERLRYKVZBP-UHFFFAOYSA-N
MW453.52 g/mol
LogP7.26
Rot. Bonds4

About 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine

5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine (PubChem CID 59130538) has the molecular formula C27H17F2N3S and a molecular weight of 453.52 g/mol. Its IUPAC name is 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
PubChem CID59130538
Molecular FormulaC27H17F2N3S
Molecular Weight453.52 g/mol
Exact Mass453.11
IUPAC Name5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5cc6ccccc6s5)cc4)cc-3n2)c1F
InChIInChI=1S/C27H17F2N3S/c28-21-6-3-5-20(26(21)29)27-30-22-12-13-32(16-23(22)31-27)15-17-8-10-18(11-9-17)25-14-19-4-1-2-7-24(19)33-25/h1-14,16H,15H2
InChIKeyUJRGERLRYKVZBP-UHFFFAOYSA-N
XLogP7.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine (CID 59130538) is 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine is Fc1cccc(-c2nc3ccn(Cc4ccc(-c5cc6ccccc6s5)cc4)cc-3n2)c1F.
What is the InChIKey of 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine?
The InChIKey is UJRGERLRYKVZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F2N3S/c28-21-6-3-5-20(26(21)29)27-30-22-12-13-32(16-23(22)31-27)15-17-8-10-18(11-9-17)25-14-19-4-1-2-7-24(19)33-25/h1-14,16H,15H2.
What are the key properties of 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine?
5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine has a molecular weight of 453.52 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).