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

C18H25N3O — CID 128968625

IUPAC1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESCN(CC(O)Cc1ccccc1)CC1CCc2nccn2C1
InChIInChI=1S/C18H25N3O/c1-20(14-17(22)11-15-5-3-2-4-6-15)12-16-7-8-18-19-9-10-21(18)13-16/h2-6,9-10,16-17,22H,7-8,11-14H2,1H3
InChIKeyWSHLJZKGFROIKP-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.98
Rot. Bonds6

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

1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol (PubChem CID 128968625) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol
PubChem CID128968625
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESCN(CC(O)Cc1ccccc1)CC1CCc2nccn2C1
InChIInChI=1S/C18H25N3O/c1-20(14-17(22)11-15-5-3-2-4-6-15)12-16-7-8-18-19-9-10-21(18)13-16/h2-6,9-10,16-17,22H,7-8,11-14H2,1H3
InChIKeyWSHLJZKGFROIKP-UHFFFAOYSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol (CID 128968625) is 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol is CN(CC(O)Cc1ccccc1)CC1CCc2nccn2C1.
What is the InChIKey of 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol?
The InChIKey is WSHLJZKGFROIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-20(14-17(22)11-15-5-3-2-4-6-15)12-16-7-8-18-19-9-10-21(18)13-16/h2-6,9-10,16-17,22H,7-8,11-14H2,1H3.
What are the key properties of 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol?
1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol has a molecular weight of 299.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 128968625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).