[(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol

C25H21ClN2O — CID 134953026

IUPAC[(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol
SMILESC[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N=C2C=Cc3cc(Cl)ccc3N21
InChIInChI=1S/C25H21ClN2O/c1-17-24(27-23-15-12-18-16-21(26)13-14-22(18)28(17)23)25(29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,24,29H,1H3/t17-,24-/m0/s1
InChIKeyUMLOHWBAURGLTO-XDHUDOTRSA-N
MW400.91 g/mol
LogP5.28
Rot. Bonds3

About [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol

[(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol (PubChem CID 134953026) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol
PubChem CID134953026
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC Name[(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol
SMILESC[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N=C2C=Cc3cc(Cl)ccc3N21
InChIInChI=1S/C25H21ClN2O/c1-17-24(27-23-15-12-18-16-21(26)13-14-22(18)28(17)23)25(29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,24,29H,1H3/t17-,24-/m0/s1
InChIKeyUMLOHWBAURGLTO-XDHUDOTRSA-N
XLogP5.28
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol?
The IUPAC name of [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol (CID 134953026) is [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol?
The canonical SMILES for [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol is C[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)N=C2C=Cc3cc(Cl)ccc3N21.
What is the InChIKey of [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol?
The InChIKey is UMLOHWBAURGLTO-XDHUDOTRSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-17-24(27-23-15-12-18-16-21(26)13-14-22(18)28(17)23)25(29,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,24,29H,1H3/t17-,24-/m0/s1.
What are the key properties of [(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol?
[(1S,2S)-7-chloro-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol has a molecular weight of 400.91 g/mol, XLogP of 5.28, 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-1-methyl-1,2-dihydroimidazo[1,2-a]quinolin-2-yl]-diphenylmethanol is sourced from PubChem (CID 134953026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).