(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

C21H24ClN2O2+ — CID 2303685

IUPAC(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
SMILESCOc1ccc(N2C3=[N+](CCCC3)[C@@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN2O2/c1-15-21(25,16-6-8-17(22)9-7-16)24(20-5-3-4-14-23(15)20)18-10-12-19(26-2)13-11-18/h6-13,15,25H,3-5,14H2,1-2H3/q+1/t15-,21-/m0/s1
InChIKeyGAIBYRYSJVLECI-BTYIYWSLSA-N
MW371.89 g/mol
LogP4.00
Rot. Bonds3

About (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

(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 (PubChem CID 2303685) has the molecular formula C21H24ClN2O2+ and a molecular weight of 371.89 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID2303685
Molecular FormulaC21H24ClN2O2+
Molecular Weight371.89 g/mol
Exact Mass371.15
IUPAC Name(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
SMILESCOc1ccc(N2C3=[N+](CCCC3)[C@@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN2O2/c1-15-21(25,16-6-8-17(22)9-7-16)24(20-5-3-4-14-23(15)20)18-10-12-19(26-2)13-11-18/h6-13,15,25H,3-5,14H2,1-2H3/q+1/t15-,21-/m0/s1
InChIKeyGAIBYRYSJVLECI-BTYIYWSLSA-N
XLogP4.00
TPSA35.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.00
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

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
(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
(2S)-1-(4-methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 2318150
2-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-3H-imidazo[1,2-a]pyridin-4-ium-2-ol
CID 5098747
(3S)-1,3-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031124
(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-chlorophenyl)-1-(4-methylphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol
CID 3770351
(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
(3S)-1-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031170
(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
(3S)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031122
(3R)-3-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
CID 7031129

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(N2C3=[N+](CCCC3)[C@@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (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?
The InChIKey is GAIBYRYSJVLECI-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H24ClN2O2/c1-15-21(25,16-6-8-17(22)9-7-16)24(20-5-3-4-14-23(15)20)18-10-12-19(26-2)13-11-18/h6-13,15,25H,3-5,14H2,1-2H3/q+1/t15-,21-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 371.89 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 2303685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).