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

C18H28N4O2 — CID 111455429

IUPAC1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1cccc2nc(CNC(=O)NCC(C)(O)CCC(C)C)cn12
InChIInChI=1S/C18H28N4O2/c1-13(2)8-9-18(4,24)12-20-17(23)19-10-15-11-22-14(3)6-5-7-16(22)21-15/h5-7,11,13,24H,8-10,12H2,1-4H3,(H2,19,20,23)
InChIKeyPLTCWWBBNVLKER-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.63
Rot. Bonds7

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

1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 111455429) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
PubChem CID111455429
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1cccc2nc(CNC(=O)NCC(C)(O)CCC(C)C)cn12
InChIInChI=1S/C18H28N4O2/c1-13(2)8-9-18(4,24)12-20-17(23)19-10-15-11-22-14(3)6-5-7-16(22)21-15/h5-7,11,13,24H,8-10,12H2,1-4H3,(H2,19,20,23)
InChIKeyPLTCWWBBNVLKER-UHFFFAOYSA-N
XLogP2.63
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea with MolForge

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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-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111338547
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylsulfinylbutyl)urea
CID 138043967
2-methyl-1-(5-methylhexan-2-yl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111782358
2-amino-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide;dihydrochloride
CID 119882818
1-(3-hydroxy-3-phenylpropyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111481737
1-benzyl-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111450167
3-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylbutanamide
CID 110025329
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111455276
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-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507638
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454512

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 111455429) is 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is Cc1cccc2nc(CNC(=O)NCC(C)(O)CCC(C)C)cn12.
What is the InChIKey of 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The InChIKey is PLTCWWBBNVLKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)8-9-18(4,24)12-20-17(23)19-10-15-11-22-14(3)6-5-7-16(22)21-15/h5-7,11,13,24H,8-10,12H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 332.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,5-dimethylhexyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 111455429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).