(2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol

C15H21N2O2+ — CID 2318150

IUPAC(2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESCOc1ccc(N2C3=[N+](CCCC3)C[C@]2(C)O)cc1
InChIInChI=1S/C15H21N2O2/c1-15(18)11-16-10-4-3-5-14(16)17(15)12-6-8-13(19-2)9-7-12/h6-9,18H,3-5,10-11H2,1-2H3/q+1/t15-/m0/s1
InChIKeyLLSHJOHYVPCTPY-HNNXBMFYSA-N
MW261.34 g/mol
LogP1.82
Rot. Bonds2

About (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol

(2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (PubChem CID 2318150) has the molecular formula C15H21N2O2+ and a molecular weight of 261.34 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
PubChem CID2318150
Molecular FormulaC15H21N2O2+
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name(2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESCOc1ccc(N2C3=[N+](CCCC3)C[C@]2(C)O)cc1
InChIInChI=1S/C15H21N2O2/c1-15(18)11-16-10-4-3-5-14(16)17(15)12-6-8-13(19-2)9-7-12/h6-9,18H,3-5,10-11H2,1-2H3/q+1/t15-/m0/s1
InChIKeyLLSHJOHYVPCTPY-HNNXBMFYSA-N
XLogP1.82
TPSA35.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-2-methyl-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol
CID 171977423
(2R)-1-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 853520
2-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 5098747
(2R)-2-(2-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol
CID 25273716
(2S)-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 1420768
2-(4-ethoxyphenyl)-1-(4-methylphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol
CID 4606782
2-[4-(difluoromethoxy)phenyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 21176667
(3S)-1,3-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031124
(2R,3S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 2303685
2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 4609706
1-(4-methoxyphenyl)-2-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 21178837
2-[4-(difluoromethoxy)phenyl]-1-(4-ethoxyphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol
CID 3367896

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The IUPAC name of (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (CID 2318150) is (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.
What is the SMILES notation for (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The canonical SMILES for (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is COc1ccc(N2C3=[N+](CCCC3)C[C@]2(C)O)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The InChIKey is LLSHJOHYVPCTPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N2O2/c1-15(18)11-16-10-4-3-5-14(16)17(15)12-6-8-13(19-2)9-7-12/h6-9,18H,3-5,10-11H2,1-2H3/q+1/t15-/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
(2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol has a molecular weight of 261.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is sourced from PubChem (CID 2318150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).