2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C17H29N3O3S — CID 45272056

IUPAC2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCCS(=O)(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C17H29N3O3S/c1-17(2,3)16-18-14-12-19(24(21,22)10-9-23-4)8-7-15(14)20(16)11-13-5-6-13/h13H,5-12H2,1-4H3
InChIKeyQSXOIZNBRGLYPO-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.92
Rot. Bonds6

About 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 45272056) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID45272056
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCCS(=O)(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C17H29N3O3S/c1-17(2,3)16-18-14-12-19(24(21,22)10-9-23-4)8-7-15(14)20(16)11-13-5-6-13/h13H,5-12H2,1-4H3
InChIKeyQSXOIZNBRGLYPO-UHFFFAOYSA-N
XLogP1.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 45272056) is 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COCCS(=O)(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1.
What is the InChIKey of 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is QSXOIZNBRGLYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-17(2,3)16-18-14-12-19(24(21,22)10-9-23-4)8-7-15(14)20(16)11-13-5-6-13/h13H,5-12H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 355.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 45272056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).