6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole

C26H27N3 — CID 140677098

IUPAC6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole
SMILESCc1ccc(-c2nc3ccc4c(c3n2-c2ccccc2)C(C)(C)CC4(C)C)cn1
InChIInChI=1S/C26H27N3/c1-17-11-12-18(15-27-17)24-28-21-14-13-20-22(26(4,5)16-25(20,2)3)23(21)29(24)19-9-7-6-8-10-19/h6-15H,16H2,1-5H3
InChIKeySECHXBORCMPAKL-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.35
Rot. Bonds2

About 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole

6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole (PubChem CID 140677098) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole.

Molecular Properties

Compound Name6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole
PubChem CID140677098
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC Name6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole
SMILESCc1ccc(-c2nc3ccc4c(c3n2-c2ccccc2)C(C)(C)CC4(C)C)cn1
InChIInChI=1S/C26H27N3/c1-17-11-12-18(15-27-17)24-28-21-14-13-20-22(26(4,5)16-25(20,2)3)23(21)29(24)19-9-7-6-8-10-19/h6-15H,16H2,1-5H3
InChIKeySECHXBORCMPAKL-UHFFFAOYSA-N
XLogP6.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine
CID 131983038
7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
CID 140756453
2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 171749163
8,8-dimethyl-5-(4-phenylphenyl)-15-pyridin-3-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12,14-heptaene
CID 140703691
3,3-dimethyl-N,15,16-triphenyl-N-(4-phenylphenyl)-15,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4(9),5,7,11,14(18),16,19-nonaen-6-amine
CID 172504146
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
8-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 135242455
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 129095673
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 138746453
5-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-5-(1,2-diphenylbenzimidazol-5-yl)phenyl]-1,2-diphenylbenzimidazole
CID 164783517

Frequently Asked Questions

What is the IUPAC name of 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole?
The IUPAC name of 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole (CID 140677098) is 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole.
What is the SMILES notation for 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole?
The canonical SMILES for 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole is Cc1ccc(-c2nc3ccc4c(c3n2-c2ccccc2)C(C)(C)CC4(C)C)cn1.
What is the InChIKey of 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole?
The InChIKey is SECHXBORCMPAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-17-11-12-18(15-27-17)24-28-21-14-13-20-22(26(4,5)16-25(20,2)3)23(21)29(24)19-9-7-6-8-10-19/h6-15H,16H2,1-5H3.
What are the key properties of 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole?
6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole has a molecular weight of 381.52 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole is sourced from PubChem (CID 140677098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).