2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole

C45H29F3N6 — CID 163870317

IUPAC2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole
SMILESFc1ccc(C2=NC3C=CC=CC3N2c2cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C45H29F3N6/c46-31-19-13-28(14-20-31)43-49-37-7-1-4-10-40(37)52(43)34-25-35(53-41-11-5-2-8-38(41)50-44(53)29-15-21-32(47)22-16-29)27-36(26-34)54-42-12-6-3-9-39(42)51-45(54)30-17-23-33(48)24-18-30/h1-27,37,40H
InChIKeyPKFNOFPABIXAJZ-UHFFFAOYSA-N
MW710.76 g/mol
LogP10.25
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole

2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole (PubChem CID 163870317) has the molecular formula C45H29F3N6 and a molecular weight of 710.76 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole
PubChem CID163870317
Molecular FormulaC45H29F3N6
Molecular Weight710.76 g/mol
Exact Mass710.24
IUPAC Name2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole
SMILESFc1ccc(C2=NC3C=CC=CC3N2c2cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C45H29F3N6/c46-31-19-13-28(14-20-31)43-49-37-7-1-4-10-40(37)52(43)34-25-35(53-41-11-5-2-8-38(41)50-44(53)29-15-21-32(47)22-16-29)27-36(26-34)54-42-12-6-3-9-39(42)51-45(54)30-17-23-33(48)24-18-30/h1-27,37,40H
InChIKeyPKFNOFPABIXAJZ-UHFFFAOYSA-N
XLogP10.25
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.76
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-[2,6-diphenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[2-naphthalen-2-yl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[2-phenyl-10-[4-(1-phenyl-3a,7a-dihydrobenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 164962129
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole
CID 155173980
1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
CID 155173981
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
2-phenyl-1-[4-[7-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyren-2-yl]phenyl]benzimidazole
CID 90362628
2-[3,5-bis[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
CID 155179345
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 58037872
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-methylphenyl)benzimidazol-1-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 155173966

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole (CID 163870317) is 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole is Fc1ccc(C2=NC3C=CC=CC3N2c2cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole?
The InChIKey is PKFNOFPABIXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29F3N6/c46-31-19-13-28(14-20-31)43-49-37-7-1-4-10-40(37)52(43)34-25-35(53-41-11-5-2-8-38(41)50-44(53)29-15-21-32(47)22-16-29)27-36(26-34)54-42-12-6-3-9-39(42)51-45(54)30-17-23-33(48)24-18-30/h1-27,37,40H.
What are the key properties of 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole?
2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole has a molecular weight of 710.76 g/mol, XLogP of 10.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-[2-(4-fluorophenyl)-3a,7a-dihydrobenzimidazol-1-yl]-5-[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]benzimidazole is sourced from PubChem (CID 163870317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).