1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H23N3OS — CID 113484502

IUPAC1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCc1nc2c(n1CC(C)S(C)=O)CCNC2
InChIInChI=1S/C13H23N3OS/c1-4-5-13-15-11-8-14-7-6-12(11)16(13)9-10(2)18(3)17/h10,14H,4-9H2,1-3H3
InChIKeyQYILUJTWFOLNQP-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.25
Rot. Bonds5

About 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 113484502) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID113484502
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCc1nc2c(n1CC(C)S(C)=O)CCNC2
InChIInChI=1S/C13H23N3OS/c1-4-5-13-15-11-8-14-7-6-12(11)16(13)9-10(2)18(3)17/h10,14H,4-9H2,1-3H3
InChIKeyQYILUJTWFOLNQP-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide
CID 64858304
2-propyl-1-(2,2,3,3-tetramethylcyclopropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 79350712
N,N-dimethyl-4-(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)butan-1-amine
CID 64857574
N,N-dimethyl-1-[(2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)methyl]cyclobutan-1-amine
CID 105420681
2-ethyl-1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 113493743
1-(4-methoxybutan-2-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858971
1-(2-ethylphenyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857130
1-(1-ethylcyclobutyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 113489177
2-methyl-1-(2-piperidin-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858166
1-(2-methyloxolan-3-yl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 82735992
1-(4-methylpentyl)-2-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857950
2-tert-butyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856921

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 113484502) is 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCc1nc2c(n1CC(C)S(C)=O)CCNC2.
What is the InChIKey of 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QYILUJTWFOLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-5-13-15-11-8-14-7-6-12(11)16(13)9-10(2)18(3)17/h10,14H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 269.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfinylpropyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 113484502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).