4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

C18H24N4OS — CID 91761222

IUPAC4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)SCCN1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1
InChIInChI=1S/C18H24N4OS/c1-12(2)24-10-9-22-8-7-15-16(11-22)21-18(20-15)14-5-3-13(4-6-14)17(19)23/h3-6,12H,7-11H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyMFCLIKMJUPXLTP-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.68
Rot. Bonds6

About 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 91761222) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID91761222
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)SCCN1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1
InChIInChI=1S/C18H24N4OS/c1-12(2)24-10-9-22-8-7-15-16(11-22)21-18(20-15)14-5-3-13(4-6-14)17(19)23/h3-6,12H,7-11H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyMFCLIKMJUPXLTP-UHFFFAOYSA-N
XLogP2.68
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (CID 91761222) is 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is CC(C)SCCN1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1.
What is the InChIKey of 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is MFCLIKMJUPXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12(2)24-10-9-22-8-7-15-16(11-22)21-18(20-15)14-5-3-13(4-6-14)17(19)23/h3-6,12H,7-11H2,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 344.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 91761222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).