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

C20H22N2O — CID 134191832

IUPAC(2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole
SMILESC[C@H]1N(C)C=CN1c1ccc2c(c1)Oc1ccccc1C2(C)C
InChIInChI=1S/C20H22N2O/c1-14-21(4)11-12-22(14)15-9-10-17-19(13-15)23-18-8-6-5-7-16(18)20(17,2)3/h5-14H,1-4H3/t14-/m0/s1
InChIKeyAORAKYOMXVRAPP-AWEZNQCLSA-N
MW306.41 g/mol
LogP4.69
Rot. Bonds1

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

(2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole (PubChem CID 134191832) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name(2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole
PubChem CID134191832
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole
SMILESC[C@H]1N(C)C=CN1c1ccc2c(c1)Oc1ccccc1C2(C)C
InChIInChI=1S/C20H22N2O/c1-14-21(4)11-12-22(14)15-9-10-17-19(13-15)23-18-8-6-5-7-16(18)20(17,2)3/h5-14H,1-4H3/t14-/m0/s1
InChIKeyAORAKYOMXVRAPP-AWEZNQCLSA-N
XLogP4.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole
CID 134191883
(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
5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine
CID 158580057
(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
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;phenylphosphane
CID 155388268
10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene
CID 90366560
3-(3-bromo-5-phenylphenyl)-9,9-dimethylxanthene
CID 166679254

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole?
The IUPAC name of (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole (CID 134191832) is (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole?
The canonical SMILES for (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole is C[C@H]1N(C)C=CN1c1ccc2c(c1)Oc1ccccc1C2(C)C.
What is the InChIKey of (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole?
The InChIKey is AORAKYOMXVRAPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14-21(4)11-12-22(14)15-9-10-17-19(13-15)23-18-8-6-5-7-16(18)20(17,2)3/h5-14H,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole?
(2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole has a molecular weight of 306.41 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 134191832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).