1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine

C42H35Cl2F3N10 — CID 91057725

IUPAC1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc(C)nc3)N(c3ccc(C)nc3)c3ncc(-c4nc5cccc(F)c5n4CCC)cc3Cl)c(Cl)c2)nc2c(F)c(F)ccc21
InChIInChI=1S/C42H35Cl2F3N10/c1-5-16-54-35-15-14-32(45)36(47)37(35)53-40(54)27-19-31(44)42(51-21-27)57(29-13-11-25(4)49-23-29)56(28-12-10-24(3)48-22-28)41-30(43)18-26(20-50-41)39-52-34-9-7-8-33(46)38(34)55(39)17-6-2/h7-15,18-23H,5-6,16-17H2,1-4H3
InChIKeyXDAYRCMEINFDQL-UHFFFAOYSA-N
MW807.71 g/mol
LogP11.35
Rot. Bonds11

About 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine

1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine (PubChem CID 91057725) has the molecular formula C42H35Cl2F3N10 and a molecular weight of 807.71 g/mol. Its IUPAC name is 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine.

Molecular Properties

Compound Name1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine
PubChem CID91057725
Molecular FormulaC42H35Cl2F3N10
Molecular Weight807.71 g/mol
Exact Mass806.24
IUPAC Name1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc(C)nc3)N(c3ccc(C)nc3)c3ncc(-c4nc5cccc(F)c5n4CCC)cc3Cl)c(Cl)c2)nc2c(F)c(F)ccc21
InChIInChI=1S/C42H35Cl2F3N10/c1-5-16-54-35-15-14-32(45)36(47)37(35)53-40(54)27-19-31(44)42(51-21-27)57(29-13-11-25(4)49-23-29)56(28-12-10-24(3)48-22-28)41-30(43)18-26(20-50-41)39-52-34-9-7-8-33(46)38(34)55(39)17-6-2/h7-15,18-23H,5-6,16-17H2,1-4H3
InChIKeyXDAYRCMEINFDQL-UHFFFAOYSA-N
XLogP11.35
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.71
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Gsk1331258
CID 46190877
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]purine
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13-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11212921
3-chloro-N-(4-chlorophenyl)-5-(1-propyl-1H-benzo[d]imidazol-2-yl)pyridin-2-amine
CID 25101880
5-(1-butyl-1H-benzo[d]imidazol-2-yl)-3-chloro-N-(6-methylpyridin-3-yl)pyridin-2-amine
CID 25101881
3-chloro-5-(4-chloro-1-propyl-1H-benzo[d]imidazol-2-yl)-N-(6-methylpyridin-3-yl)pyridin-2-amine
CID 25102023
3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-2-yl)-N-(6-methylpyridin-3-yl)pyridin-2-amine
CID 51033723
3-chloro-5-(6-chloro-1-propyl-1H-benzo[d]imidazol-2-yl)-N-(6-methylpyridin-3-yl)pyridin-2-amine
CID 53318766
3-chloro-N-(6-methylpyridin-3-yl)-5-(1-propyl-1H-benzo[d]imidazol-2-yl)pyridin-2-amine
CID 53321433
3-chloro-5-(1-ethyl-1H-benzo[d]imidazol-2-yl)-N-(6-methylpyridin-3-yl)pyridin-2-amine
CID 53324080
3-chloro-5-(1-isobutyl-1H-benzo[d]imidazol-2-yl)-N-(6-methylpyridin-3-yl)pyridin-2-amine
CID 53325366
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]purine
CID 135156097

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine?
The IUPAC name of 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine (CID 91057725) is 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine.
What is the SMILES notation for 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine?
The canonical SMILES for 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine is CCCn1c(-c2cnc(N(c3ccc(C)nc3)N(c3ccc(C)nc3)c3ncc(-c4nc5cccc(F)c5n4CCC)cc3Cl)c(Cl)c2)nc2c(F)c(F)ccc21.
What is the InChIKey of 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine?
The InChIKey is XDAYRCMEINFDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35Cl2F3N10/c1-5-16-54-35-15-14-32(45)36(47)37(35)53-40(54)27-19-31(44)42(51-21-27)57(29-13-11-25(4)49-23-29)56(28-12-10-24(3)48-22-28)41-30(43)18-26(20-50-41)39-52-34-9-7-8-33(46)38(34)55(39)17-6-2/h7-15,18-23H,5-6,16-17H2,1-4H3.
What are the key properties of 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine?
1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine has a molecular weight of 807.71 g/mol, XLogP of 11.35, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(4,5-difluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine is sourced from PubChem (CID 91057725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).