[(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol

C25H22ClIN2O — CID 164666929

IUPAC[(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol
SMILESC[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N=C2C(I)Cc3cc(Cl)ccc3N21
InChIInChI=1S/C25H22ClIN2O/c1-16-23(25(30,18-8-4-2-5-9-18)19-10-6-3-7-11-19)28-24-21(27)15-17-14-20(26)12-13-22(17)29(16)24/h2-14,16,21,23,30H,15H2,1H3/t16-,21?,23-/m0/s1
InChIKeyFUHWSGIGXSNGEQ-NFGFVTGESA-N
MW528.82 g/mol
LogP5.61
Rot. Bonds3

About [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol

[(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol (PubChem CID 164666929) has the molecular formula C25H22ClIN2O and a molecular weight of 528.82 g/mol. Its IUPAC name is [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol
PubChem CID164666929
Molecular FormulaC25H22ClIN2O
Molecular Weight528.82 g/mol
Exact Mass528.05
IUPAC Name[(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol
SMILESC[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N=C2C(I)Cc3cc(Cl)ccc3N21
InChIInChI=1S/C25H22ClIN2O/c1-16-23(25(30,18-8-4-2-5-9-18)19-10-6-3-7-11-19)28-24-21(27)15-17-14-20(26)12-13-22(17)29(16)24/h2-14,16,21,23,30H,15H2,1H3/t16-,21?,23-/m0/s1
InChIKeyFUHWSGIGXSNGEQ-NFGFVTGESA-N
XLogP5.61
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.82
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol?
The IUPAC name of [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol (CID 164666929) is [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol?
The canonical SMILES for [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol is C[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N=C2C(I)Cc3cc(Cl)ccc3N21.
What is the InChIKey of [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol?
The InChIKey is FUHWSGIGXSNGEQ-NFGFVTGESA-N. The full InChI is InChI=1S/C25H22ClIN2O/c1-16-23(25(30,18-8-4-2-5-9-18)19-10-6-3-7-11-19)28-24-21(27)15-17-14-20(26)12-13-22(17)29(16)24/h2-14,16,21,23,30H,15H2,1H3/t16-,21?,23-/m0/s1.
What are the key properties of [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol?
[(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol has a molecular weight of 528.82 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-7-chloro-4-iodo-1-methyl-1,2,4,5-tetrahydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol is sourced from PubChem (CID 164666929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).