1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole

C19H20N2 — CID 59348265

IUPAC1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole
SMILESCN1C=CN(c2ccc3c(c2)C(C)(C)c2ccccc2-3)C1
InChIInChI=1S/C19H20N2/c1-19(2)17-7-5-4-6-15(17)16-9-8-14(12-18(16)19)21-11-10-20(3)13-21/h4-12H,13H2,1-3H3
InChIKeyPBKRJDYNGDCBBL-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.17
Rot. Bonds1

About 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole

1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole (PubChem CID 59348265) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole
PubChem CID59348265
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole
SMILESCN1C=CN(c2ccc3c(c2)C(C)(C)c2ccccc2-3)C1
InChIInChI=1S/C19H20N2/c1-19(2)17-7-5-4-6-15(17)16-9-8-14(12-18(16)19)21-11-10-20(3)13-21/h4-12H,13H2,1-3H3
InChIKeyPBKRJDYNGDCBBL-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12,27-bis(9,9-dimethylfluoren-2-yl)-12,27-diazaheptacyclo[26.2.2.28,11.213,16.223,26.02,7.017,22]octatriaconta-1(30),2,4,6,8(38),9,11(37),13(36),14,16(35),17,19,21,23,25,28,31,33-octadecaene
CID 121263135
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole
CID 58489457
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
9-(9,9-dimethylfluoren-2-yl)-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501110

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole (CID 59348265) is 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole is CN1C=CN(c2ccc3c(c2)C(C)(C)c2ccccc2-3)C1.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole?
The InChIKey is PBKRJDYNGDCBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-19(2)17-7-5-4-6-15(17)16-9-8-14(12-18(16)19)21-11-10-20(3)13-21/h4-12H,13H2,1-3H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole?
1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole has a molecular weight of 276.38 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-3-methyl-2H-imidazole is sourced from PubChem (CID 59348265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).