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

C15H22N4O2 — CID 111455428

IUPAC1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCCC(CCO)NC(=O)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C15H22N4O2/c1-3-12(7-8-20)18-15(21)16-9-13-10-19-11(2)5-4-6-14(19)17-13/h4-6,10,12,20H,3,7-9H2,1-2H3,(H2,16,18,21)
InChIKeyIVRIFOKPVJCBIQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.60
Rot. Bonds6

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

1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 111455428) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
PubChem CID111455428
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCCC(CCO)NC(=O)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C15H22N4O2/c1-3-12(7-8-20)18-15(21)16-9-13-10-19-11(2)5-4-6-14(19)17-13/h4-6,10,12,20H,3,7-9H2,1-2H3,(H2,16,18,21)
InChIKeyIVRIFOKPVJCBIQ-UHFFFAOYSA-N
XLogP1.60
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95288811
1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111338547
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 97244970
1-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95934509
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea
CID 138043967
1-(3-hydroxy-3-phenylpropyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111481737
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-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111455429
N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 43417880
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 111455428) is 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is CCC(CCO)NC(=O)NCc1cn2c(C)cccc2n1.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The InChIKey is IVRIFOKPVJCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-12(7-8-20)18-15(21)16-9-13-10-19-11(2)5-4-6-14(19)17-13/h4-6,10,12,20H,3,7-9H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 290.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 111455428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).