1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C17H25N3OS — CID 118739310

IUPAC1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)COCC1CN(Cc2ccsc2)Cc2ncn(C)c21
InChIInChI=1S/C17H25N3OS/c1-13(2)9-21-10-15-7-20(6-14-4-5-22-11-14)8-16-17(15)19(3)12-18-16/h4-5,11-13,15H,6-10H2,1-3H3
InChIKeyQFWVVAAABNRYJA-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.25
Rot. Bonds6

About 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739310) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118739310
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)COCC1CN(Cc2ccsc2)Cc2ncn(C)c21
InChIInChI=1S/C17H25N3OS/c1-13(2)9-21-10-15-7-20(6-14-4-5-22-11-14)8-16-17(15)19(3)12-18-16/h4-5,11-13,15H,6-10H2,1-3H3
InChIKeyQFWVVAAABNRYJA-UHFFFAOYSA-N
XLogP3.25
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739310) is 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)COCC1CN(Cc2ccsc2)Cc2ncn(C)c21.
What is the InChIKey of 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is QFWVVAAABNRYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-13(2)9-21-10-15-7-20(6-14-4-5-22-11-14)8-16-17(15)19(3)12-18-16/h4-5,11-13,15H,6-10H2,1-3H3.
What are the key properties of 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 319.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(2-methylpropoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).