2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole

C38H24F4N4 — CID 129174928

IUPAC2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole
SMILESFc1cc2c(cc1F)N(c1ccccc1)C(=C1N(c3ccccc3)c3cc(F)c(F)cc3N1c1ccccc1)N2c1ccccc1
InChIInChI=1S/C38H24F4N4/c39-29-21-33-34(22-30(29)40)44(26-15-7-2-8-16-26)37(43(33)25-13-5-1-6-14-25)38-45(27-17-9-3-10-18-27)35-23-31(41)32(42)24-36(35)46(38)28-19-11-4-12-20-28/h1-24H
InChIKeyUMDPYDOMRVJZND-UHFFFAOYSA-N
MW612.63 g/mol
LogP10.65
Rot. Bonds4

About 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole

2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole (PubChem CID 129174928) has the molecular formula C38H24F4N4 and a molecular weight of 612.63 g/mol. Its IUPAC name is 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole.

Molecular Properties

Compound Name2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole
PubChem CID129174928
Molecular FormulaC38H24F4N4
Molecular Weight612.63 g/mol
Exact Mass612.19
IUPAC Name2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole
SMILESFc1cc2c(cc1F)N(c1ccccc1)C(=C1N(c3ccccc3)c3cc(F)c(F)cc3N1c1ccccc1)N2c1ccccc1
InChIInChI=1S/C38H24F4N4/c39-29-21-33-34(22-30(29)40)44(26-15-7-2-8-16-26)37(43(33)25-13-5-1-6-14-25)38-45(27-17-9-3-10-18-27)35-23-31(41)32(42)24-36(35)46(38)28-19-11-4-12-20-28/h1-24H
InChIKeyUMDPYDOMRVJZND-UHFFFAOYSA-N
XLogP10.65
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.63
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole?
The IUPAC name of 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole (CID 129174928) is 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole.
What is the SMILES notation for 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole?
The canonical SMILES for 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole is Fc1cc2c(cc1F)N(c1ccccc1)C(=C1N(c3ccccc3)c3cc(F)c(F)cc3N1c1ccccc1)N2c1ccccc1.
What is the InChIKey of 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole?
The InChIKey is UMDPYDOMRVJZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F4N4/c39-29-21-33-34(22-30(29)40)44(26-15-7-2-8-16-26)37(43(33)25-13-5-1-6-14-25)38-45(27-17-9-3-10-18-27)35-23-31(41)32(42)24-36(35)46(38)28-19-11-4-12-20-28/h1-24H.
What are the key properties of 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole?
2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole has a molecular weight of 612.63 g/mol, XLogP of 10.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole is sourced from PubChem (CID 129174928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).