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

C174H172F8N30 — CID 157397000

IUPAC7-[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
SMILESFC1(F)CC[C@H](c2ncc(-c3ccc(-c4ccc5c(c4)CCc4[nH]c([C@@H]6CCCN6)nc4-5)cc3)[nH]2)C1.FC1(F)CC[C@H](c2ncc(-c3ccc(-c4ccc5c(ccc6[nH]c([C@@H]7CCCN7)nc65)c4)cc3)[nH]2)C1.FC1(F)CN[C@H](c2nc3c([nH]2)CCc2cc(-c4ccc(-c5cnc(C6CCCC6)[nH]5)cc4)ccc2-3)C1.Fc1cc(-c2ccc3c(c2)CCc2[nH]c([C@@H]4CCCN4)nc2-3)ccc1-c1cnc(C2CCCC2)[nH]1.Fc1cc(-c2ccc3c(ccc4[nH]c([C@@H]5CCCN5)nc43)c2)ccc1-c1cnc(C2CCCC2)[nH]1.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(ccc3[nH]c([C@@H]4CCCN4)nc32)c1
InChIInChI=1S/C29H29F2N5.C29H27F2N5.C29H29F2N5.C29H30FN5.C29H28FN5.C29H29N5/c2*30-29(31)12-11-21(15-29)27-33-16-25(35-27)18-5-3-17(4-6-18)19-7-9-22-20(14-19)8-10-23-26(22)36-28(34-23)24-2-1-13-32-24;30-29(31)14-24(33-16-29)28-34-23-12-10-21-13-20(9-11-22(21)26(23)36-28)17-5-7-18(8-6-17)25-15-32-27(35-25)19-3-1-2-4-19;2*30-23-15-19(8-11-22(23)26-16-32-28(34-26)17-4-1-2-5-17)18-7-10-21-20(14-18)9-12-24-27(21)35-29(33-24)25-6-3-13-31-25;1-2-5-20(4-1)28-31-17-26(33-28)19-9-7-18(8-10-19)21-11-13-23-22(16-21)12-14-24-27(23)34-29(32-24)25-6-3-15-30-25/h3-7,9,14,16,21,24,32H,1-2,8,10-13,15H2,(H,33,35)(H,34,36);3-10,14,16,21,24,32H,1-2,11-13,15H2,(H,33,35)(H,34,36);5-9,11,13,15,19,24,33H,1-4,10,12,14,16H2,(H,32,35)(H,34,36);7-8,10-11,14-17,25,31H,1-6,9,12-13H2,(H,32,34)(H,33,35);7-12,14-17,25,31H,1-6,13H2,(H,32,34)(H,33,35);7-14,16-17,20,25,30H,1-6,15H2,(H,31,33)(H,32,34)/t2*21-,24-;24-;3*25-/m000000/s1
InChIKeyBMROKGLASIMYCO-BNBHTSIRSA-N
MW2835.48 g/mol
LogP40.52
Rot. Bonds24

About 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

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 (PubChem CID 157397000) has the molecular formula C174H172F8N30 and a molecular weight of 2835.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID157397000
Molecular FormulaC174H172F8N30
Molecular Weight2835.48 g/mol
Exact Mass2833.43
IUPAC Name7-[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
SMILESFC1(F)CC[C@H](c2ncc(-c3ccc(-c4ccc5c(c4)CCc4[nH]c([C@@H]6CCCN6)nc4-5)cc3)[nH]2)C1.FC1(F)CC[C@H](c2ncc(-c3ccc(-c4ccc5c(ccc6[nH]c([C@@H]7CCCN7)nc65)c4)cc3)[nH]2)C1.FC1(F)CN[C@H](c2nc3c([nH]2)CCc2cc(-c4ccc(-c5cnc(C6CCCC6)[nH]5)cc4)ccc2-3)C1.Fc1cc(-c2ccc3c(c2)CCc2[nH]c([C@@H]4CCCN4)nc2-3)ccc1-c1cnc(C2CCCC2)[nH]1.Fc1cc(-c2ccc3c(ccc4[nH]c([C@@H]5CCCN5)nc43)c2)ccc1-c1cnc(C2CCCC2)[nH]1.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(ccc3[nH]c([C@@H]4CCCN4)nc32)c1
InChIInChI=1S/C29H29F2N5.C29H27F2N5.C29H29F2N5.C29H30FN5.C29H28FN5.C29H29N5/c2*30-29(31)12-11-21(15-29)27-33-16-25(35-27)18-5-3-17(4-6-18)19-7-9-22-20(14-19)8-10-23-26(22)36-28(34-23)24-2-1-13-32-24;30-29(31)14-24(33-16-29)28-34-23-12-10-21-13-20(9-11-22(21)26(23)36-28)17-5-7-18(8-6-17)25-15-32-27(35-25)19-3-1-2-4-19;2*30-23-15-19(8-11-22(23)26-16-32-28(34-26)17-4-1-2-5-17)18-7-10-21-20(14-18)9-12-24-27(21)35-29(33-24)25-6-3-13-31-25;1-2-5-20(4-1)28-31-17-26(33-28)19-9-7-18(8-10-19)21-11-13-23-22(16-21)12-14-24-27(23)34-29(32-24)25-6-3-15-30-25/h3-7,9,14,16,21,24,32H,1-2,8,10-13,15H2,(H,33,35)(H,34,36);3-10,14,16,21,24,32H,1-2,11-13,15H2,(H,33,35)(H,34,36);5-9,11,13,15,19,24,33H,1-4,10,12,14,16H2,(H,32,35)(H,34,36);7-8,10-11,14-17,25,31H,1-6,9,12-13H2,(H,32,34)(H,33,35);7-12,14-17,25,31H,1-6,13H2,(H,32,34)(H,33,35);7-14,16-17,20,25,30H,1-6,15H2,(H,31,33)(H,32,34)/t2*21-,24-;24-;3*25-/m000000/s1
InChIKeyBMROKGLASIMYCO-BNBHTSIRSA-N
XLogP40.52
TPSA416.34 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002835.48
LogP ≤ 540.52
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-3H-benzo[e]benzimidazole;13-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-4-[(2S)-pyrrolidin-2-yl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene;2-cyclopentyl-7-[2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazole;(2R)-2-(diethylamino)-1-[(2S)-2-[12-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl]pyrrolidin-1-yl]-2-phenylethanone;7-[4-[2-[(1S)-3,3-difluorocyclopentyl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 159412391
7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3,4-dihydrochromeno[3,4-d]imidazole
CID 159258516
2-cyclopentyl-7-[2-[(1S)-3,3-difluorocyclopentyl]-3H-benzimidazol-5-yl]-3H-benzo[e]benzimidazole
CID 159429365
acetylene;N-[[5-[2-fluoro-4-[2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 143849379
6-[3-[4-[2-[(1S)-3,3-difluorocyclopentyl]-1H-imidazol-5-yl]phenyl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole
CID 159579342
7-[7-[2-[(3S)-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-4-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 122535649
2-cyclopentyl-7-[4-[2-[(3R)-1,1-dimethylsilolan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole
CID 58427217
N-[[5-[4-[2-[(2S)-piperidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]methyl]propan-1-amine
CID 143849331
2-[(2S)-4,4-difluoropyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 59669089
2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
CID 66982264
7-[4-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-cyclodeca[d]imidazol-7-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 67477656
methyl N-[(2S)-3-methyl-1-oxo-1-[(8S)-8-[5-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]butan-2-yl]carbamate
CID 67682000

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC1(F)CC[C@H](c2ncc(-c3ccc(-c4ccc5c(c4)CCc4[nH]c([C@@H]6CCCN6)nc4-5)cc3)[nH]2)C1.FC1(F)CC[C@H](c2ncc(-c3ccc(-c4ccc5c(ccc6[nH]c([C@@H]7CCCN7)nc65)c4)cc3)[nH]2)C1.FC1(F)CN[C@H](c2nc3c([nH]2)CCc2cc(-c4ccc(-c5cnc(C6CCCC6)[nH]5)cc4)ccc2-3)C1.Fc1cc(-c2ccc3c(c2)CCc2[nH]c([C@@H]4CCCN4)nc2-3)ccc1-c1cnc(C2CCCC2)[nH]1.Fc1cc(-c2ccc3c(ccc4[nH]c([C@@H]5CCCN5)nc43)c2)ccc1-c1cnc(C2CCCC2)[nH]1.c1cc(-c2cnc(C3CCCC3)[nH]2)ccc1-c1ccc2c(ccc3[nH]c([C@@H]4CCCN4)nc32)c1.
What is the InChIKey of 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?
The InChIKey is BMROKGLASIMYCO-BNBHTSIRSA-N. The full InChI is InChI=1S/C29H29F2N5.C29H27F2N5.C29H29F2N5.C29H30FN5.C29H28FN5.C29H29N5/c2*30-29(31)12-11-21(15-29)27-33-16-25(35-27)18-5-3-17(4-6-18)19-7-9-22-20(14-19)8-10-23-26(22)36-28(34-23)24-2-1-13-32-24;30-29(31)14-24(33-16-29)28-34-23-12-10-21-13-20(9-11-22(21)26(23)36-28)17-5-7-18(8-6-17)25-15-32-27(35-25)19-3-1-2-4-19;2*30-23-15-19(8-11-22(23)26-16-32-28(34-26)17-4-1-2-5-17)18-7-10-21-20(14-18)9-12-24-27(21)35-29(33-24)25-6-3-13-31-25;1-2-5-20(4-1)28-31-17-26(33-28)19-9-7-18(8-10-19)21-11-13-23-22(16-21)12-14-24-27(23)34-29(32-24)25-6-3-15-30-25/h3-7,9,14,16,21,24,32H,1-2,8,10-13,15H2,(H,33,35)(H,34,36);3-10,14,16,21,24,32H,1-2,11-13,15H2,(H,33,35)(H,34,36);5-9,11,13,15,19,24,33H,1-4,10,12,14,16H2,(H,32,35)(H,34,36);7-8,10-11,14-17,25,31H,1-6,9,12-13H2,(H,32,34)(H,33,35);7-12,14-17,25,31H,1-6,13H2,(H,32,34)(H,33,35);7-14,16-17,20,25,30H,1-6,15H2,(H,31,33)(H,32,34)/t2*21-,24-;24-;3*25-/m000000/s1.
What are the key properties of 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?
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 has a molecular weight of 2835.48 g/mol, XLogP of 40.52, 24 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157397000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).