1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole

C33H19F4N3 — CID 146262600

IUPAC1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole
SMILESFc1c(F)c(-c2nc3ccccc3n2-c2ccccc2)c(F)c(F)c1-c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C33H19F4N3/c34-29-27(26-19-20-11-7-9-17-24(20)39(26)21-12-3-1-4-13-21)30(35)32(37)28(31(29)36)33-38-23-16-8-10-18-25(23)40(33)22-14-5-2-6-15-22/h1-19H
InChIKeyUTXBJKOBHUDQSY-UHFFFAOYSA-N
MW533.53 g/mol
LogP8.86
Rot. Bonds4

About 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole

1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole (PubChem CID 146262600) has the molecular formula C33H19F4N3 and a molecular weight of 533.53 g/mol. Its IUPAC name is 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole
PubChem CID146262600
Molecular FormulaC33H19F4N3
Molecular Weight533.53 g/mol
Exact Mass533.15
IUPAC Name1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole
SMILESFc1c(F)c(-c2nc3ccccc3n2-c2ccccc2)c(F)c(F)c1-c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C33H19F4N3/c34-29-27(26-19-20-11-7-9-17-24(20)39(26)21-12-3-1-4-13-21)30(35)32(37)28(31(29)36)33-38-23-16-8-10-18-25(23)40(33)22-14-5-2-6-15-22/h1-19H
InChIKeyUTXBJKOBHUDQSY-UHFFFAOYSA-N
XLogP8.86
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.53
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]benzimidazole
CID 139158144
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole
CID 134337994
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367
2-(10-benzo[a]anthracen-6-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59412815
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole (CID 146262600) is 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole is Fc1c(F)c(-c2nc3ccccc3n2-c2ccccc2)c(F)c(F)c1-c1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole?
The InChIKey is UTXBJKOBHUDQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19F4N3/c34-29-27(26-19-20-11-7-9-17-24(20)39(26)21-12-3-1-4-13-21)30(35)32(37)28(31(29)36)33-38-23-16-8-10-18-25(23)40(33)22-14-5-2-6-15-22/h1-19H.
What are the key properties of 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole?
1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole has a molecular weight of 533.53 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2,3,5,6-tetrafluoro-4-(1-phenylindol-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 146262600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).