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

C21H24FN2O+ — CID 7031093

IUPAC(3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESCc1ccc(C)c(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2CCCC3)c1
InChIInChI=1S/C21H24FN2O/c1-15-6-7-16(2)19(13-15)23-14-21(25,17-8-10-18(22)11-9-17)24-12-4-3-5-20(23)24/h6-11,13,25H,3-5,12,14H2,1-2H3/q+1/t21-/m0/s1
InChIKeySFOGTWPOGMSTQI-NRFANRHFSA-N
MW339.43 g/mol
LogP3.70
Rot. Bonds2

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

(3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (PubChem CID 7031093) has the molecular formula C21H24FN2O+ and a molecular weight of 339.43 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
PubChem CID7031093
Molecular FormulaC21H24FN2O+
Molecular Weight339.43 g/mol
Exact Mass339.19
IUPAC Name(3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESCc1ccc(C)c(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2CCCC3)c1
InChIInChI=1S/C21H24FN2O/c1-15-6-7-16(2)19(13-15)23-14-21(25,17-8-10-18(22)11-9-17)24-12-4-3-5-20(23)24/h6-11,13,25H,3-5,12,14H2,1-2H3/q+1/t21-/m0/s1
InChIKeySFOGTWPOGMSTQI-NRFANRHFSA-N
XLogP3.70
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-methylphenyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031174
3-(4-fluorophenyl)-1-(3-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
CID 18553239
1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
CID 18553191
(3R)-1-(2,5-dimethylphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031106
(3R)-1-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
CID 7031325
1,3-bis(4-methylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
CID 45135658
3-(4-fluorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
CID 45123562
1-(2-methoxyphenyl)-3-(4-methylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol
CID 4582668
(3S)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031122
3-(4-methoxyphenyl)-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
CID 18553230
(3S)-3-[4-(difluoromethoxy)phenyl]-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031182
(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031188

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The IUPAC name of (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (CID 7031093) is (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.
What is the SMILES notation for (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The canonical SMILES for (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is Cc1ccc(C)c(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2CCCC3)c1.
What is the InChIKey of (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The InChIKey is SFOGTWPOGMSTQI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24FN2O/c1-15-6-7-16(2)19(13-15)23-14-21(25,17-8-10-18(22)11-9-17)24-12-4-3-5-20(23)24/h6-11,13,25H,3-5,12,14H2,1-2H3/q+1/t21-/m0/s1.
What are the key properties of (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
(3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol has a molecular weight of 339.43 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is sourced from PubChem (CID 7031093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).