2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine

C18H19N3S — CID 117164957

IUPAC2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1cccc(Cc2nc3cccnc3n2C2CCCS2)c1
InChIInChI=1S/C18H19N3S/c1-13-5-2-6-14(11-13)12-16-20-15-7-3-9-19-18(15)21(16)17-8-4-10-22-17/h2-3,5-7,9,11,17H,4,8,10,12H2,1H3
InChIKeyPBMBDIGKJZYMIV-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.36
Rot. Bonds3

About 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine

2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117164957) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117164957
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1cccc(Cc2nc3cccnc3n2C2CCCS2)c1
InChIInChI=1S/C18H19N3S/c1-13-5-2-6-14(11-13)12-16-20-15-7-3-9-19-18(15)21(16)17-8-4-10-22-17/h2-3,5-7,9,11,17H,4,8,10,12H2,1H3
InChIKeyPBMBDIGKJZYMIV-UHFFFAOYSA-N
XLogP4.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(thian-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159877
2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117163675
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117166710
2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117160752
2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165419
3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117164918
3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163403
3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165093
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
3-[(3-methylphenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165886

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117164957) is 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine is Cc1cccc(Cc2nc3cccnc3n2C2CCCS2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is PBMBDIGKJZYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-5-2-6-14(11-13)12-16-20-15-7-3-9-19-18(15)21(16)17-8-4-10-22-17/h2-3,5-7,9,11,17H,4,8,10,12H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 309.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).