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

C15H22N4O2 — CID 111338547

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

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

1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 111338547) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
PubChem CID111338547
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCCCC(O)CNC(=O)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C15H22N4O2/c1-3-5-13(20)9-17-15(21)16-8-12-10-19-11(2)6-4-7-14(19)18-12/h4,6-7,10,13,20H,3,5,8-9H2,1-2H3,(H2,16,17,21)
InChIKeyVAJIHTAYUCCTRB-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)-2-methoxy-3,3-dimethylbutyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95934509
1-(3-hydroxy-3-phenylpropyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111481737
1-(1-hydroxypentan-3-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111455428
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111455429
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea
CID 138043967
2-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352
1-[3-(2,6-dimethylphenoxy)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 86904635
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 111338547) is 1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is CCCC(O)CNC(=O)NCc1cn2c(C)cccc2n1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The InChIKey is VAJIHTAYUCCTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-5-13(20)9-17-15(21)16-8-12-10-19-11(2)6-4-7-14(19)18-12/h4,6-7,10,13,20H,3,5,8-9H2,1-2H3,(H2,16,17,21).
What are the key properties of 1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
1-(2-hydroxypentyl)-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-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 111338547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).