1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine

C39H28Cl4FN9 — CID 91108981

IUPAC1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)c3ncc(-c4nc5cc(F)ccc5n4C)cc3Cl)c(Cl)c2)nc2cnccc21
InChIInChI=1S/C39H28Cl4FN9/c1-3-16-51-35-14-15-45-22-33(35)49-37(51)24-18-31(43)39(47-21-24)53(29-11-6-26(41)7-12-29)52(28-9-4-25(40)5-10-28)38-30(42)17-23(20-46-38)36-48-32-19-27(44)8-13-34(32)50(36)2/h4-15,17-22H,3,16H2,1-2H3
InChIKeyCGMPUDXXYWJBKG-UHFFFAOYSA-N
MW783.53 g/mol
LogP11.50
Rot. Bonds9

About 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine

1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine (PubChem CID 91108981) has the molecular formula C39H28Cl4FN9 and a molecular weight of 783.53 g/mol. Its IUPAC name is 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine
PubChem CID91108981
Molecular FormulaC39H28Cl4FN9
Molecular Weight783.53 g/mol
Exact Mass781.12
IUPAC Name1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)c3ncc(-c4nc5cc(F)ccc5n4C)cc3Cl)c(Cl)c2)nc2cnccc21
InChIInChI=1S/C39H28Cl4FN9/c1-3-16-51-35-14-15-45-22-33(35)49-37(51)24-18-31(43)39(47-21-24)53(29-11-6-26(41)7-12-29)52(28-9-4-25(40)5-10-28)38-30(42)17-23(20-46-38)36-48-32-19-27(44)8-13-34(32)50(36)2/h4-15,17-22H,3,16H2,1-2H3
InChIKeyCGMPUDXXYWJBKG-UHFFFAOYSA-N
XLogP11.50
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.53
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine?
The IUPAC name of 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine (CID 91108981) is 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine.
What is the SMILES notation for 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine?
The canonical SMILES for 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine is CCCn1c(-c2cnc(N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)c3ncc(-c4nc5cc(F)ccc5n4C)cc3Cl)c(Cl)c2)nc2cnccc21.
What is the InChIKey of 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine?
The InChIKey is CGMPUDXXYWJBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28Cl4FN9/c1-3-16-51-35-14-15-45-22-33(35)49-37(51)24-18-31(43)39(47-21-24)53(29-11-6-26(41)7-12-29)52(28-9-4-25(40)5-10-28)38-30(42)17-23(20-46-38)36-48-32-19-27(44)8-13-34(32)50(36)2/h4-15,17-22H,3,16H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine?
1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine has a molecular weight of 783.53 g/mol, XLogP of 11.50, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(5-fluoro-1-methylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(4-chlorophenyl)-2-[3-chloro-5-(1-propylimidazo[4,5-c]pyridin-2-yl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 91108981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).