1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine

C42H30Cl4F4N8 — CID 91256482

IUPAC1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc(F)c(F)c3)N(c3cccc(F)c3F)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C42H30Cl4F4N8/c1-3-16-55-37-26(43)8-5-11-33(37)53-39(55)23-18-28(45)41(51-21-23)57(25-14-15-30(47)32(49)20-25)58(35-13-7-10-31(48)36(35)50)42-29(46)19-24(22-52-42)40-54-34-12-6-9-27(44)38(34)56(40)17-4-2/h5-15,18-22H,3-4,16-17H2,1-2H3
InChIKeyHMLZBJOMVCSNKF-UHFFFAOYSA-N
MW864.56 g/mol
LogP13.39
Rot. Bonds11

About 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine

1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine (PubChem CID 91256482) has the molecular formula C42H30Cl4F4N8 and a molecular weight of 864.56 g/mol. Its IUPAC name is 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine.

Molecular Properties

Compound Name1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine
PubChem CID91256482
Molecular FormulaC42H30Cl4F4N8
Molecular Weight864.56 g/mol
Exact Mass862.13
IUPAC Name1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc(F)c(F)c3)N(c3cccc(F)c3F)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C42H30Cl4F4N8/c1-3-16-55-37-26(43)8-5-11-33(37)53-39(55)23-18-28(45)41(51-21-23)57(25-14-15-30(47)32(49)20-25)58(35-13-7-10-31(48)36(35)50)42-29(46)19-24(22-52-42)40-54-34-12-6-9-27(44)38(34)56(40)17-4-2/h5-15,18-22H,3-4,16-17H2,1-2H3
InChIKeyHMLZBJOMVCSNKF-UHFFFAOYSA-N
XLogP13.39
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.56
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine?
The IUPAC name of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine (CID 91256482) is 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine.
What is the SMILES notation for 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine?
The canonical SMILES for 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine is CCCn1c(-c2cnc(N(c3ccc(F)c(F)c3)N(c3cccc(F)c3F)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2cccc(Cl)c21.
What is the InChIKey of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine?
The InChIKey is HMLZBJOMVCSNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30Cl4F4N8/c1-3-16-55-37-26(43)8-5-11-33(37)53-39(55)23-18-28(45)41(51-21-23)57(25-14-15-30(47)32(49)20-25)58(35-13-7-10-31(48)36(35)50)42-29(46)19-24(22-52-42)40-54-34-12-6-9-27(44)38(34)56(40)17-4-2/h5-15,18-22H,3-4,16-17H2,1-2H3.
What are the key properties of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine?
1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine has a molecular weight of 864.56 g/mol, XLogP of 13.39, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(2,3-difluorophenyl)-2-(3,4-difluorophenyl)hydrazine is sourced from PubChem (CID 91256482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).