2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole

C28H26F2N4 — CID 159429365

IUPAC2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole
SMILESFC1(F)CC[C@H](c2nc3ccc(-c4ccc5c(ccc6[nH]c(C7CCCC7)nc65)c4)cc3[nH]2)C1
InChIInChI=1S/C28H26F2N4/c29-28(30)12-11-20(15-28)27-31-22-9-6-18(14-24(22)33-27)17-5-8-21-19(13-17)7-10-23-25(21)34-26(32-23)16-3-1-2-4-16/h5-10,13-14,16,20H,1-4,11-12,15H2,(H,31,33)(H,32,34)/t20-/m0/s1
InChIKeyLQUCJJURHNENPB-FQEVSTJZSA-N
MW456.54 g/mol
LogP7.82
Rot. Bonds3

About 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole

2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole (PubChem CID 159429365) has the molecular formula C28H26F2N4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole.

Molecular Properties

Compound Name2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole
PubChem CID159429365
Molecular FormulaC28H26F2N4
Molecular Weight456.54 g/mol
Exact Mass456.21
IUPAC Name2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole
SMILESFC1(F)CC[C@H](c2nc3ccc(-c4ccc5c(ccc6[nH]c(C7CCCC7)nc65)c4)cc3[nH]2)C1
InChIInChI=1S/C28H26F2N4/c29-28(30)12-11-20(15-28)27-31-22-9-6-18(14-24(22)33-27)17-5-8-21-19(13-17)7-10-23-25(21)34-26(32-23)16-3-1-2-4-16/h5-10,13-14,16,20H,1-4,11-12,15H2,(H,31,33)(H,32,34)/t20-/m0/s1
InChIKeyLQUCJJURHNENPB-FQEVSTJZSA-N
XLogP7.82
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[4-(2-cyclopentyl-1H-imidazol-5-yl)-3-fluorophenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)-3-fluorophenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-[2-[(1S)-3,3-difluorocyclopentyl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-[2-[(1S)-3,3-difluorocyclopentyl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole
CID 157397000
2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole
CID 58427217
6-chloro-2-[(1R)-3,3-difluorocyclopentyl]-3H-quinazolin-4-one
CID 137230504
2-[(2S)-4,4-difluoropyrrolidin-2-yl]-6-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazole
CID 67106894
2-(3,3-difluorocyclopentyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 137054048
tert-butyl N-[(2S)-1-[(2S)-2-[7-[2-[(2S)-4,4-difluoro-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]carbamate
CID 163767054
2-cyclopentyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
CID 58449522
6-bromo-2-(3,3-difluorocyclopentyl)-1H-imidazo[4,5-b]pyridine
CID 114226394
[(2S)-1-[(2S)-2-[6-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67345291
[(2S)-1-[(2S)-2-[6-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 67345298
N-[(1S)-1-[7-[2-[1-[(4,4-difluorocyclohexanecarbonyl)amino]-2,2-dimethylpropyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 130457379
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole?
The IUPAC name of 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole (CID 159429365) is 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole.
What is the SMILES notation for 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole?
The canonical SMILES for 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole is FC1(F)CC[C@H](c2nc3ccc(-c4ccc5c(ccc6[nH]c(C7CCCC7)nc65)c4)cc3[nH]2)C1.
What is the InChIKey of 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole?
The InChIKey is LQUCJJURHNENPB-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H26F2N4/c29-28(30)12-11-20(15-28)27-31-22-9-6-18(14-24(22)33-27)17-5-8-21-19(13-17)7-10-23-25(21)34-26(32-23)16-3-1-2-4-16/h5-10,13-14,16,20H,1-4,11-12,15H2,(H,31,33)(H,32,34)/t20-/m0/s1.
What are the key properties of 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole?
2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole has a molecular weight of 456.54 g/mol, XLogP of 7.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole is sourced from PubChem (CID 159429365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).