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

C25H26N2 — CID 71012219

IUPAC1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole
SMILESCc1cc2c(cc1N1c3ccccc3N(C)C1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C25H26N2/c1-16-14-19-18-10-6-7-11-20(18)25(3,4)21(19)15-24(16)27-17(2)26(5)22-12-8-9-13-23(22)27/h6-15,17H,1-5H3
InChIKeyLUYAWSWUJFXVRR-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.24
Rot. Bonds1

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

1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole (PubChem CID 71012219) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole
PubChem CID71012219
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole
SMILESCc1cc2c(cc1N1c3ccccc3N(C)C1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C25H26N2/c1-16-14-19-18-10-6-7-11-20(18)25(3,4)21(19)15-24(16)27-17(2)26(5)22-12-8-9-13-23(22)27/h6-15,17H,1-5H3
InChIKeyLUYAWSWUJFXVRR-UHFFFAOYSA-N
XLogP6.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
CID 59747528
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
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
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
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
CID 164706117
CID 164706117
ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole
CID 142380434
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
10,10-dimethyl-14,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 145441815
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
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
10,10,21,21-tetramethyl-14-(6-methylnaphthalen-2-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139460040

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole?
The IUPAC name of 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole (CID 71012219) is 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole.
What is the SMILES notation for 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole?
The canonical SMILES for 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole is Cc1cc2c(cc1N1c3ccccc3N(C)C1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole?
The InChIKey is LUYAWSWUJFXVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-16-14-19-18-10-6-7-11-20(18)25(3,4)21(19)15-24(16)27-17(2)26(5)22-12-8-9-13-23(22)27/h6-15,17H,1-5H3.
What are the key properties of 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole?
1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole has a molecular weight of 354.50 g/mol, XLogP of 6.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-benzimidazole is sourced from PubChem (CID 71012219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).