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

C26H27N2O2+ — CID 6998818

IUPAC(2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESCOc1ccc(N2C3=[N+](C[C@]2(O)c2ccccc2)[C@@H](c2ccccc2)CCC3)cc1
InChIInChI=1S/C26H27N2O2/c1-30-23-17-15-22(16-18-23)28-25-14-8-13-24(20-9-4-2-5-10-20)27(25)19-26(28,29)21-11-6-3-7-12-21/h2-7,9-12,15-18,24,29H,8,13-14,19H2,1H3/q+1/t24-,26+/m1/s1
InChIKeyJIFLUGFVMSJMJQ-RSXGOPAZSA-N
MW399.51 g/mol
LogP4.70
Rot. Bonds4

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

(2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (PubChem CID 6998818) has the molecular formula C26H27N2O2+ and a molecular weight of 399.51 g/mol. Its IUPAC name is (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.

Molecular Properties

Compound Name(2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
PubChem CID6998818
Molecular FormulaC26H27N2O2+
Molecular Weight399.51 g/mol
Exact Mass399.21
IUPAC Name(2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
SMILESCOc1ccc(N2C3=[N+](C[C@]2(O)c2ccccc2)[C@@H](c2ccccc2)CCC3)cc1
InChIInChI=1S/C26H27N2O2/c1-30-23-17-15-22(16-18-23)28-25-14-8-13-24(20-9-4-2-5-10-20)27(25)19-26(28,29)21-11-6-3-7-12-21/h2-7,9-12,15-18,24,29H,8,13-14,19H2,1H3/q+1/t24-,26+/m1/s1
InChIKeyJIFLUGFVMSJMJQ-RSXGOPAZSA-N
XLogP4.70
TPSA35.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.70
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

(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
1-(4-methoxyphenyl)-2-phenyl-3,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-2-ol
CID 21178837
(2S,3R)-2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium-2-ol
CID 2337397
(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
(2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 2318150
4-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylazetidin-2-one
CID 12823050
(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine
CID 135021339
(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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol
CID 25273759
2-(4-methoxyphenyl)-5-[(3R)-3-phenylpyrrolidin-1-yl]triazole-4-carboxylic acid
CID 129450532
2-[4-(difluoromethoxy)phenyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 21176667

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The IUPAC name of (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol (CID 6998818) is (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol.
What is the SMILES notation for (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The canonical SMILES for (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is COc1ccc(N2C3=[N+](C[C@]2(O)c2ccccc2)[C@@H](c2ccccc2)CCC3)cc1.
What is the InChIKey of (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
The InChIKey is JIFLUGFVMSJMJQ-RSXGOPAZSA-N. The full InChI is InChI=1S/C26H27N2O2/c1-30-23-17-15-22(16-18-23)28-25-14-8-13-24(20-9-4-2-5-10-20)27(25)19-26(28,29)21-11-6-3-7-12-21/h2-7,9-12,15-18,24,29H,8,13-14,19H2,1H3/q+1/t24-,26+/m1/s1.
What are the key properties of (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol?
(2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol has a molecular weight of 399.51 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol is sourced from PubChem (CID 6998818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).