5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine

C17H12ClN3S — CID 10064916

IUPAC5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine
SMILESClc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)s1
InChIInChI=1S/C17H12ClN3S/c18-16-7-6-13(22-16)10-21-9-8-14-15(11-21)20-17(19-14)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyLOVSDELBEIUHLX-UHFFFAOYSA-N
MW325.82 g/mol
LogP4.81
Rot. Bonds3

About 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine

5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine (PubChem CID 10064916) has the molecular formula C17H12ClN3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine
PubChem CID10064916
Molecular FormulaC17H12ClN3S
Molecular Weight325.82 g/mol
Exact Mass325.04
IUPAC Name5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine
SMILESClc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)s1
InChIInChI=1S/C17H12ClN3S/c18-16-7-6-13(22-16)10-21-9-8-14-15(11-21)20-17(19-14)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyLOVSDELBEIUHLX-UHFFFAOYSA-N
XLogP4.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine (CID 10064916) is 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine is Clc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)s1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine?
The InChIKey is LOVSDELBEIUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3S/c18-16-7-6-13(22-16)10-21-9-8-14-15(11-21)20-17(19-14)12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine?
5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine has a molecular weight of 325.82 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methyl]-2-phenylimidazo[4,5-c]pyridine is sourced from PubChem (CID 10064916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).