(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole

C21H24N2O — CID 134191883

IUPAC(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole
SMILESCc1cc2c(cc1N1C=CN(C)[C@@H]1C)Oc1ccccc1C2(C)C
InChIInChI=1S/C21H24N2O/c1-14-12-17-20(13-18(14)23-11-10-22(5)15(23)2)24-19-9-7-6-8-16(19)21(17,3)4/h6-13,15H,1-5H3/t15-/m0/s1
InChIKeyKHTIMJKTVCAMEE-HNNXBMFYSA-N
MW320.44 g/mol
LogP5.00
Rot. Bonds1

About (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole

(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole (PubChem CID 134191883) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole
PubChem CID134191883
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole
SMILESCc1cc2c(cc1N1C=CN(C)[C@@H]1C)Oc1ccccc1C2(C)C
InChIInChI=1S/C21H24N2O/c1-14-12-17-20(13-18(14)23-11-10-22(5)15(23)2)24-19-9-7-6-8-16(19)21(17,3)4/h6-13,15H,1-5H3/t15-/m0/s1
InChIKeyKHTIMJKTVCAMEE-HNNXBMFYSA-N
XLogP5.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole
CID 134191832
(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
CID 59747528
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine
CID 158580057
(2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-3-yl)-2,3-dimethyl-2H-imidazole
CID 140839537
(2S)-1-(10,10-dimethylbenzo[b][1,4]benzoxasilin-2-yl)-2,3-dimethyl-2H-imidazole
CID 140839667
9,9-dimethylxanthene;phenylphosphane
CID 155388268
2-bromo-9,9-dimethyl-3-phenylxanthene
CID 164575078
9,9-dimethylxanthene;triphenylphosphane
CID 175584517
9,9-dimethyl-N-phenylxanthen-3-amine
CID 156524764
3-(2,2-dimethylpropyl)-9,9-dimethylxanthene
CID 146666376
9,9-dimethylxanthene-2-sulfonyl chloride
CID 63669162

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole?
The IUPAC name of (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole (CID 134191883) is (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole?
The canonical SMILES for (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole is Cc1cc2c(cc1N1C=CN(C)[C@@H]1C)Oc1ccccc1C2(C)C.
What is the InChIKey of (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole?
The InChIKey is KHTIMJKTVCAMEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-14-12-17-20(13-18(14)23-11-10-22(5)15(23)2)24-19-9-7-6-8-16(19)21(17,3)4/h6-13,15H,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole?
(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole has a molecular weight of 320.44 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole is sourced from PubChem (CID 134191883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).