2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine

C15H15N3O3S — CID 67907088

IUPAC2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine
SMILESCCOc1ccccc1CS(=O)(=O)c1nc2ccncc2[nH]1
InChIInChI=1S/C15H15N3O3S/c1-2-21-14-6-4-3-5-11(14)10-22(19,20)15-17-12-7-8-16-9-13(12)18-15/h3-9H,2,10H2,1H3,(H,17,18)
InChIKeyCJANMAMZTPRSAH-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.33
Rot. Bonds5

About 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine

2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 67907088) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine
PubChem CID67907088
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine
SMILESCCOc1ccccc1CS(=O)(=O)c1nc2ccncc2[nH]1
InChIInChI=1S/C15H15N3O3S/c1-2-21-14-6-4-3-5-11(14)10-22(19,20)15-17-12-7-8-16-9-13(12)18-15/h3-9H,2,10H2,1H3,(H,17,18)
InChIKeyCJANMAMZTPRSAH-UHFFFAOYSA-N
XLogP2.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 135999342
3-[(2-ethoxyphenyl)methylsulfonyl]-4-methyl-1,2,4-triazole
CID 47217757
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
2-[(2-chlorophenyl)methylsulfonyl]-3H-benzimidazol-5-amine
CID 61367818
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299839
5-[(1R)-1-[(2-ethoxyphenyl)methylsulfonyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94092462
2-[(3-methyl-4-nitroso-2-pyridinyl)methylsulfonyl]-1H-benzimidazole
CID 88979518
2-(2-ethoxyphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 155537416
2-[2-(fluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine
CID 143605442
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 35808218

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine (CID 67907088) is 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine is CCOc1ccccc1CS(=O)(=O)c1nc2ccncc2[nH]1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is CJANMAMZTPRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-21-14-6-4-3-5-11(14)10-22(19,20)15-17-12-7-8-16-9-13(12)18-15/h3-9H,2,10H2,1H3,(H,17,18).
What are the key properties of 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine?
2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 317.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylsulfonyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 67907088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).