6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole

C15H11ClN4OS — CID 22394135

IUPAC6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole
SMILESO=S(Cc1cnc2ccccn12)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H11ClN4OS/c16-10-4-5-12-13(7-10)19-15(18-12)22(21)9-11-8-17-14-3-1-2-6-20(11)14/h1-8H,9H2,(H,18,19)
InChIKeyJOSPSQVZJZRVFG-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.17
Rot. Bonds3

About 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole

6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole (PubChem CID 22394135) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole
PubChem CID22394135
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC Name6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole
SMILESO=S(Cc1cnc2ccccn12)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H11ClN4OS/c16-10-4-5-12-13(7-10)19-15(18-12)22(21)9-11-8-17-14-3-1-2-6-20(11)14/h1-8H,9H2,(H,18,19)
InChIKeyJOSPSQVZJZRVFG-UHFFFAOYSA-N
XLogP3.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole (CID 22394135) is 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole is O=S(Cc1cnc2ccccn12)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole?
The InChIKey is JOSPSQVZJZRVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c16-10-4-5-12-13(7-10)19-15(18-12)22(21)9-11-8-17-14-3-1-2-6-20(11)14/h1-8H,9H2,(H,18,19).
What are the key properties of 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole?
6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole has a molecular weight of 330.80 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(imidazo[1,2-a]pyridin-3-ylmethylsulfinyl)-1H-benzimidazole is sourced from PubChem (CID 22394135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).