1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

C17H25F3N4O2 — CID 128970651

IUPAC1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCC(NC(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1)C1CCCO1
InChIInChI=1S/C17H25F3N4O2/c1-11(13-4-3-7-26-13)21-16(25)23(2)8-12-5-6-15-22-14(17(18,19)20)10-24(15)9-12/h10-13H,3-9H2,1-2H3,(H,21,25)
InChIKeyVAUUPOSFBUIJLC-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.67
Rot. Bonds4

About 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea

1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (PubChem CID 128970651) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
PubChem CID128970651
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
SMILESCC(NC(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1)C1CCCO1
InChIInChI=1S/C17H25F3N4O2/c1-11(13-4-3-7-26-13)21-16(25)23(2)8-12-5-6-15-22-14(17(18,19)20)10-24(15)9-12/h10-13H,3-9H2,1-2H3,(H,21,25)
InChIKeyVAUUPOSFBUIJLC-UHFFFAOYSA-N
XLogP2.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea (CID 128970651) is 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is CC(NC(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1)C1CCCO1.
What is the InChIKey of 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
The InChIKey is VAUUPOSFBUIJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-11(13-4-3-7-26-13)21-16(25)23(2)8-12-5-6-15-22-14(17(18,19)20)10-24(15)9-12/h10-13H,3-9H2,1-2H3,(H,21,25).
What are the key properties of 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea?
1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea has a molecular weight of 374.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea is sourced from PubChem (CID 128970651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).