1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine

C43H34Cl4N12 — CID 91592895

IUPAC1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc4nccnc4c3)N(c3ccc(C)nn3)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C43H34Cl4N12/c1-4-18-56-38-29(44)8-6-10-34(38)52-40(56)26-20-31(46)42(50-23-26)58(28-13-14-33-36(22-28)49-17-16-48-33)59(37-15-12-25(3)54-55-37)43-32(47)21-27(24-51-43)41-53-35-11-7-9-30(45)39(35)57(41)19-5-2/h6-17,20-24H,4-5,18-19H2,1-3H3
InChIKeyHHNWRXHYBKPUKZ-UHFFFAOYSA-N
MW860.64 g/mol
LogP11.88
Rot. Bonds11

About 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine

1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine (PubChem CID 91592895) has the molecular formula C43H34Cl4N12 and a molecular weight of 860.64 g/mol. Its IUPAC name is 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine.

Molecular Properties

Compound Name1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine
PubChem CID91592895
Molecular FormulaC43H34Cl4N12
Molecular Weight860.64 g/mol
Exact Mass858.18
IUPAC Name1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc4nccnc4c3)N(c3ccc(C)nn3)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C43H34Cl4N12/c1-4-18-56-38-29(44)8-6-10-34(38)52-40(56)26-20-31(46)42(50-23-26)58(28-13-14-33-36(22-28)49-17-16-48-33)59(37-15-12-25(3)54-55-37)43-32(47)21-27(24-51-43)41-53-35-11-7-9-30(45)39(35)57(41)19-5-2/h6-17,20-24H,4-5,18-19H2,1-3H3
InChIKeyHHNWRXHYBKPUKZ-UHFFFAOYSA-N
XLogP11.88
TPSA119.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500860.64
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine with MolForge

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Related Compounds

CID 137551172
CID 137551172
CID 164611465
CID 164611465
CID 164624635
CID 164624635
CID 118736442
CID 118736442
CID 57415014
CID 57415014
CID 126677482
CID 126677482
CID 91057725
CID 91057725
CID 91082934
CID 91082934
CID 91108981
CID 91108981
CID 91247036
CID 91247036
CID 91256482
CID 91256482
CID 91429149
CID 91429149

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine?
The IUPAC name of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine (CID 91592895) is 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine.
What is the SMILES notation for 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine?
The canonical SMILES for 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine is CCCn1c(-c2cnc(N(c3ccc4nccnc4c3)N(c3ccc(C)nn3)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-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine?
The InChIKey is HHNWRXHYBKPUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34Cl4N12/c1-4-18-56-38-29(44)8-6-10-34(38)52-40(56)26-20-31(46)42(50-23-26)58(28-13-14-33-36(22-28)49-17-16-48-33)59(37-15-12-25(3)54-55-37)43-32(47)21-27(24-51-43)41-53-35-11-7-9-30(45)39(35)57(41)19-5-2/h6-17,20-24H,4-5,18-19H2,1-3H3.
What are the key properties of 1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine?
1,2-bis[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine has a molecular weight of 860.64 g/mol, XLogP of 11.88, 11 rotatable bonds, 0 hydrogen bond donors, and 12 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-(6-methylpyridazin-3-yl)-2-quinoxalin-6-ylhydrazine is sourced from PubChem (CID 91592895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).