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

C32H23F2N3O — CID 59130511

IUPAC2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)cc-3n2)c1F
InChIInChI=1S/C32H23F2N3O/c33-28-11-5-10-27(31(28)34)32-35-29-16-17-37(20-30(29)36-32)19-22-12-14-24(15-13-22)25-8-4-9-26(18-25)38-21-23-6-2-1-3-7-23/h1-18,20H,19,21H2
InChIKeyMBKVDCKABLVHAN-UHFFFAOYSA-N
MW503.55 g/mol
LogP7.62
Rot. Bonds7

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

2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine (PubChem CID 59130511) has the molecular formula C32H23F2N3O and a molecular weight of 503.55 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
PubChem CID59130511
Molecular FormulaC32H23F2N3O
Molecular Weight503.55 g/mol
Exact Mass503.18
IUPAC Name2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nc3ccn(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)cc-3n2)c1F
InChIInChI=1S/C32H23F2N3O/c33-28-11-5-10-27(31(28)34)32-35-29-16-17-37(20-30(29)36-32)19-22-12-14-24(15-13-22)25-8-4-9-26(18-25)38-21-23-6-2-1-3-7-23/h1-18,20H,19,21H2
InChIKeyMBKVDCKABLVHAN-UHFFFAOYSA-N
XLogP7.62
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine (CID 59130511) is 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine is Fc1cccc(-c2nc3ccn(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)cc-3n2)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is MBKVDCKABLVHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2N3O/c33-28-11-5-10-27(31(28)34)32-35-29-16-17-37(20-30(29)36-32)19-22-12-14-24(15-13-22)25-8-4-9-26(18-25)38-21-23-6-2-1-3-7-23/h1-18,20H,19,21H2.
What are the key properties of 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine?
2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 503.55 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-[[4-(3-phenylmethoxyphenyl)phenyl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 59130511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).