1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea

C15H22N4O2S — CID 138043967

IUPAC1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea
SMILESCc1cccc2nc(CNC(=O)NCCC(C)S(C)=O)cn12
InChIInChI=1S/C15H22N4O2S/c1-11-5-4-6-14-18-13(10-19(11)14)9-17-15(20)16-8-7-12(2)22(3)21/h4-6,10,12H,7-9H2,1-3H3,(H2,16,17,20)
InChIKeyNNCBOFGYBLLCLW-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.60
Rot. Bonds6

About 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea

1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea (PubChem CID 138043967) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea.

Molecular Properties

Compound Name1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea
PubChem CID138043967
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea
SMILESCc1cccc2nc(CNC(=O)NCCC(C)S(C)=O)cn12
InChIInChI=1S/C15H22N4O2S/c1-11-5-4-6-14-18-13(10-19(11)14)9-17-15(20)16-8-7-12(2)22(3)21/h4-6,10,12H,7-9H2,1-3H3,(H2,16,17,20)
InChIKeyNNCBOFGYBLLCLW-UHFFFAOYSA-N
XLogP1.60
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111481737
1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 86904635
1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111338547
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111455429
1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111455428
1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95934509
2-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352
2-amino-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide;dihydrochloride
CID 119882818
1-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopentane-1-carboxamide
CID 111112321
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95288811
1-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 97072611
2-methyl-1-(5-methylhexan-2-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111782358

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea?
The IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea (CID 138043967) is 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea.
What is the SMILES notation for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea?
The canonical SMILES for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea is Cc1cccc2nc(CNC(=O)NCCC(C)S(C)=O)cn12.
What is the InChIKey of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea?
The InChIKey is NNCBOFGYBLLCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-5-4-6-14-18-13(10-19(11)14)9-17-15(20)16-8-7-12(2)22(3)21/h4-6,10,12H,7-9H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea?
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea has a molecular weight of 322.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea is sourced from PubChem (CID 138043967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).