[(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol

C20H22N2O — CID 129382643

IUPAC[(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol
SMILESCc1nc2c3c(c(CO)cn2c1C)CC[C@@H](c1ccccc1)C3
InChIInChI=1S/C20H22N2O/c1-13-14(2)22-11-17(12-23)18-9-8-16(10-19(18)20(22)21-13)15-6-4-3-5-7-15/h3-7,11,16,23H,8-10,12H2,1-2H3/t16-/m1/s1
InChIKeyTYIJFXHSCSDZNQ-MRXNPFEDSA-N
MW306.41 g/mol
LogP3.72
Rot. Bonds2

About [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol

[(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol (PubChem CID 129382643) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol.

Molecular Properties

Compound Name[(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol
PubChem CID129382643
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name[(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol
SMILESCc1nc2c3c(c(CO)cn2c1C)CC[C@@H](c1ccccc1)C3
InChIInChI=1S/C20H22N2O/c1-13-14(2)22-11-17(12-23)18-9-8-16(10-19(18)20(22)21-13)15-6-4-3-5-7-15/h3-7,11,16,23H,8-10,12H2,1-2H3/t16-/m1/s1
InChIKeyTYIJFXHSCSDZNQ-MRXNPFEDSA-N
XLogP3.72
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol with MolForge

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Related Compounds

[(9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol
CID 129382644
6-(chloromethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline;6-(methoxymethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinoline
CID 160878733
(9S)-N-(2-hydroxyethyl)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11233848
N,2,3-trimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11359568
N,N,2,3-tetramethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11484848
2-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403771
5-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
CID 59215088
(12R)-5-(hydroxymethyl)-N,N,4-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23729609
5-(hydroxymethyl)-N,N,4-trimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23730962
2-phenyl-1,2,3,4-tetrahydrochrysene
CID 174844260
4-chloro-7-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 103095140
5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 59050135

Frequently Asked Questions

What is the IUPAC name of [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol?
The IUPAC name of [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol (CID 129382643) is [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol.
What is the SMILES notation for [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol?
The canonical SMILES for [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol is Cc1nc2c3c(c(CO)cn2c1C)CC[C@@H](c1ccccc1)C3.
What is the InChIKey of [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol?
The InChIKey is TYIJFXHSCSDZNQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-14(2)22-11-17(12-23)18-9-8-16(10-19(18)20(22)21-13)15-6-4-3-5-7-15/h3-7,11,16,23H,8-10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol?
[(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol has a molecular weight of 306.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[2,1-a]isoquinolin-6-yl]methanol is sourced from PubChem (CID 129382643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).