1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole

C32H18F5N5 — CID 134169779

IUPAC1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole
SMILESFc1nc(-n2c(-c3ccccc3)nc3ccccc32)c(C(F)(F)F)c(-n2c(-c3ccccc3)nc3ccccc32)c1F
InChIInChI=1S/C32H18F5N5/c33-26-27(41-23-17-9-7-15-21(23)38-29(41)19-11-3-1-4-12-19)25(32(35,36)37)31(40-28(26)34)42-24-18-10-8-16-22(24)39-30(42)20-13-5-2-6-14-20/h1-18H
InChIKeyRJTCIMAJDXOJRH-UHFFFAOYSA-N
MW567.52 g/mol
LogP8.39
Rot. Bonds4

About 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole

1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole (PubChem CID 134169779) has the molecular formula C32H18F5N5 and a molecular weight of 567.52 g/mol. Its IUPAC name is 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole
PubChem CID134169779
Molecular FormulaC32H18F5N5
Molecular Weight567.52 g/mol
Exact Mass567.15
IUPAC Name1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole
SMILESFc1nc(-n2c(-c3ccccc3)nc3ccccc32)c(C(F)(F)F)c(-n2c(-c3ccccc3)nc3ccccc32)c1F
InChIInChI=1S/C32H18F5N5/c33-26-27(41-23-17-9-7-15-21(23)38-29(41)19-11-3-1-4-12-19)25(32(35,36)37)31(40-28(26)34)42-24-18-10-8-16-22(24)39-30(42)20-13-5-2-6-14-20/h1-18H
InChIKeyRJTCIMAJDXOJRH-UHFFFAOYSA-N
XLogP8.39
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.52
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1-(trifluoromethyl)benzimidazole
CID 123856722
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzimidazole
CID 134169891
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
CID 166043849
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
CID 174005103
CID 174005103
4-(2-phenylbenzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
CID 134169784
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole (CID 134169779) is 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole is Fc1nc(-n2c(-c3ccccc3)nc3ccccc32)c(C(F)(F)F)c(-n2c(-c3ccccc3)nc3ccccc32)c1F.
What is the InChIKey of 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole?
The InChIKey is RJTCIMAJDXOJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F5N5/c33-26-27(41-23-17-9-7-15-21(23)38-29(41)19-11-3-1-4-12-19)25(32(35,36)37)31(40-28(26)34)42-24-18-10-8-16-22(24)39-30(42)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole?
1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole has a molecular weight of 567.52 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-6-(2-phenylbenzimidazol-1-yl)-5-(trifluoromethyl)-4-pyridinyl]-2-phenylbenzimidazole is sourced from PubChem (CID 134169779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).