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

C21H24N2 — CID 59747528

IUPAC(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
SMILESCc1cc2c(cc1N1C=CN(C)[C@@H]1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C21H24N2/c1-14-12-17-16-8-6-7-9-18(16)21(3,4)19(17)13-20(14)23-11-10-22(5)15(23)2/h6-13,15H,1-5H3/t15-/m0/s1
InChIKeySXTLCVFWWBULIC-HNNXBMFYSA-N
MW304.44 g/mol
LogP4.87
Rot. Bonds1

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

(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole (PubChem CID 59747528) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
PubChem CID59747528
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
SMILESCc1cc2c(cc1N1C=CN(C)[C@@H]1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C21H24N2/c1-14-12-17-16-8-6-7-9-18(16)21(3,4)19(17)13-20(14)23-11-10-22(5)15(23)2/h6-13,15H,1-5H3/t15-/m0/s1
InChIKeySXTLCVFWWBULIC-HNNXBMFYSA-N
XLogP4.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole
CID 71012219
(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole
CID 134191883
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
16,16,21,25,25-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.09,17.010,15.024,32.026,31]tritriaconta-1(33),2,4,6,8(20),9(17),10,12,14,18,22,24(32),26,28,30-pentadecaene
CID 139506238
ethane;7,8,18,18-tetramethyl-4-azatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),5,10,12,14,16-heptaen-4-amine
CID 143743601
2,12,12,20,20-pentamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 129305206
2,2,12,12,20,20-hexamethyl-16-(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)-16-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 129305162
17,17,21,24,24-pentamethyl-21-azaoctacyclo[20.11.0.02,7.08,20.010,18.011,16.023,31.025,30]tritriaconta-1(22),2,4,6,8,10(18),11,13,15,19,23(31),25,27,29,32-pentadecaene
CID 139506414
10,10,14,14,15,15,22-heptamethyl-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1(13),2,4,6,8,11,16,18,20-nonaene
CID 58184992
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
CID 164706117
CID 164706117

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole?
The IUPAC name of (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole (CID 59747528) is (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole.
What is the SMILES notation for (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole?
The canonical SMILES for (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole is Cc1cc2c(cc1N1C=CN(C)[C@@H]1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole?
The InChIKey is SXTLCVFWWBULIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2/c1-14-12-17-16-8-6-7-9-18(16)21(3,4)19(17)13-20(14)23-11-10-22(5)15(23)2/h6-13,15H,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole?
(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole has a molecular weight of 304.44 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole is sourced from PubChem (CID 59747528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).