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

C20H20F4N4O2 — CID 86904726

IUPAC1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
SMILESCc1cccc2nc(CNC(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)cn12
InChIInChI=1S/C20H20F4N4O2/c1-13-4-2-7-17-26-16(10-28(13)17)9-25-19(29)27-15-6-3-5-14(8-15)11-30-12-20(23,24)18(21)22/h2-8,10,18H,9,11-12H2,1H3,(H2,25,27,29)
InChIKeyLWLRUCWKPCXGKN-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.38
Rot. Bonds8

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

1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea (PubChem CID 86904726) has the molecular formula C20H20F4N4O2 and a molecular weight of 424.40 g/mol. Its IUPAC name is 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
PubChem CID86904726
Molecular FormulaC20H20F4N4O2
Molecular Weight424.40 g/mol
Exact Mass424.15
IUPAC Name1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
SMILESCc1cccc2nc(CNC(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)cn12
InChIInChI=1S/C20H20F4N4O2/c1-13-4-2-7-17-26-16(10-28(13)17)9-25-19(29)27-15-6-3-5-14(8-15)11-30-12-20(23,24)18(21)22/h2-8,10,18H,9,11-12H2,1H3,(H2,25,27,29)
InChIKeyLWLRUCWKPCXGKN-UHFFFAOYSA-N
XLogP4.38
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86877132
1-[1-(2,5-dimethylphenyl)ethyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 55770303
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)urea
CID 166303754
1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 87003591
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95288811
2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118828
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194
1-(4-fluorophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]triazole-4-carboxamide
CID 86881382
1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111338547
2-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352
4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
CID 51118830
2-amino-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide;dihydrochloride
CID 119882818

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea?
The IUPAC name of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea (CID 86904726) is 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea?
The canonical SMILES for 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea is Cc1cccc2nc(CNC(=O)Nc3cccc(COCC(F)(F)C(F)F)c3)cn12.
What is the InChIKey of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea?
The InChIKey is LWLRUCWKPCXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N4O2/c1-13-4-2-7-17-26-16(10-28(13)17)9-25-19(29)27-15-6-3-5-14(8-15)11-30-12-20(23,24)18(21)22/h2-8,10,18H,9,11-12H2,1H3,(H2,25,27,29).
What are the key properties of 1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea?
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea has a molecular weight of 424.40 g/mol, XLogP of 4.38, 8 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-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea is sourced from PubChem (CID 86904726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).