1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol

C19H24F3N3O — CID 128972822

IUPAC1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol
SMILESCN(CC(O)Cc1ccccc1)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C19H24F3N3O/c1-24(12-16(26)9-14-5-3-2-4-6-14)10-15-7-8-18-23-17(19(20,21)22)13-25(18)11-15/h2-6,13,15-16,26H,7-12H2,1H3
InChIKeyNMHAEDSLZJEQMM-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.00
Rot. Bonds6

About 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol

1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol (PubChem CID 128972822) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol
PubChem CID128972822
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol
SMILESCN(CC(O)Cc1ccccc1)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C19H24F3N3O/c1-24(12-16(26)9-14-5-3-2-4-6-14)10-15-7-8-18-23-17(19(20,21)22)13-25(18)11-15/h2-6,13,15-16,26H,7-12H2,1H3
InChIKeyNMHAEDSLZJEQMM-UHFFFAOYSA-N
XLogP3.00
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol (CID 128972822) is 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol is CN(CC(O)Cc1ccccc1)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is NMHAEDSLZJEQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-24(12-16(26)9-14-5-3-2-4-6-14)10-15-7-8-18-23-17(19(20,21)22)13-25(18)11-15/h2-6,13,15-16,26H,7-12H2,1H3.
What are the key properties of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol?
1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 367.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 128972822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).