5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C14H21N5S — CID 56717328

IUPAC5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCSCCC1c2nc[nH]c2CCN1Cc1cncn1C
InChIInChI=1S/C14H21N5S/c1-18-10-15-7-11(18)8-19-5-3-12-14(17-9-16-12)13(19)4-6-20-2/h7,9-10,13H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyNHRFUHUFQLIPER-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.00
Rot. Bonds5

About 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56717328) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56717328
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCSCCC1c2nc[nH]c2CCN1Cc1cncn1C
InChIInChI=1S/C14H21N5S/c1-18-10-15-7-11(18)8-19-5-3-12-14(17-9-16-12)13(19)4-6-20-2/h7,9-10,13H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyNHRFUHUFQLIPER-UHFFFAOYSA-N
XLogP2.00
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56717328) is 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CSCCC1c2nc[nH]c2CCN1Cc1cncn1C.
What is the InChIKey of 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is NHRFUHUFQLIPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-18-10-15-7-11(18)8-19-5-3-12-14(17-9-16-12)13(19)4-6-20-2/h7,9-10,13H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 291.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylimidazol-4-yl)methyl]-4-(2-methylsulfanylethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56717328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).