1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine

C43H37ClF2N8 — CID 91600394

IUPAC1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine
SMILESCCCn1c(-c2ccc(N(c3ccc(Cl)cc3)N(c3ccc(C)nc3)c3ccc(-c4nc5ccc(F)cc5n4CCC)nc3)cc2)nc2ccc(F)cc21
InChIInChI=1S/C43H37ClF2N8/c1-4-22-51-40-24-31(45)11-19-37(40)49-42(51)29-7-14-33(15-8-29)53(34-16-9-30(44)10-17-34)54(35-13-6-28(3)47-26-35)36-18-21-39(48-27-36)43-50-38-20-12-32(46)25-41(38)52(43)23-5-2/h6-21,24-27H,4-5,22-23H2,1-3H3
InChIKeyINHXTYIREZPRLI-UHFFFAOYSA-N
MW739.27 g/mol
LogP11.46
Rot. Bonds11

About 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine

1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine (PubChem CID 91600394) has the molecular formula C43H37ClF2N8 and a molecular weight of 739.27 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine
PubChem CID91600394
Molecular FormulaC43H37ClF2N8
Molecular Weight739.27 g/mol
Exact Mass738.28
IUPAC Name1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine
SMILESCCCn1c(-c2ccc(N(c3ccc(Cl)cc3)N(c3ccc(C)nc3)c3ccc(-c4nc5ccc(F)cc5n4CCC)nc3)cc2)nc2ccc(F)cc21
InChIInChI=1S/C43H37ClF2N8/c1-4-22-51-40-24-31(45)11-19-37(40)49-42(51)29-7-14-33(15-8-29)53(34-16-9-30(44)10-17-34)54(35-13-6-28(3)47-26-35)36-18-21-39(48-27-36)43-50-38-20-12-32(46)25-41(38)52(43)23-5-2/h6-21,24-27H,4-5,22-23H2,1-3H3
InChIKeyINHXTYIREZPRLI-UHFFFAOYSA-N
XLogP11.46
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.27
LogP ≤ 511.46
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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Related Compounds

Gsk1331258
CID 46190877
8,9-dichloro-2-methyl-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
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8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]purine
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8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]purine
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8,9-dichloro-5-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4H-imidazo[1,2-a][1,5]benzodiazepine
CID 10095715
8,9-Dichloro-1-methyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4H-3,6,10b-triaza-benzo[e]azulene
CID 10367575
7-Chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
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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
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]purine
CID 135156161
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]purine
CID 135156242
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 135164615
11-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(13),2(7),3,5,9,11-hexaene
CID 11396606

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine?
The IUPAC name of 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine (CID 91600394) is 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine?
The canonical SMILES for 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine is CCCn1c(-c2ccc(N(c3ccc(Cl)cc3)N(c3ccc(C)nc3)c3ccc(-c4nc5ccc(F)cc5n4CCC)nc3)cc2)nc2ccc(F)cc21.
What is the InChIKey of 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine?
The InChIKey is INHXTYIREZPRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37ClF2N8/c1-4-22-51-40-24-31(45)11-19-37(40)49-42(51)29-7-14-33(15-8-29)53(34-16-9-30(44)10-17-34)54(35-13-6-28(3)47-26-35)36-18-21-39(48-27-36)43-50-38-20-12-32(46)25-41(38)52(43)23-5-2/h6-21,24-27H,4-5,22-23H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine?
1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine has a molecular weight of 739.27 g/mol, XLogP of 11.46, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-[4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[6-(6-fluoro-1-propylbenzimidazol-2-yl)-3-pyridinyl]-2-(6-methyl-3-pyridinyl)hydrazine is sourced from PubChem (CID 91600394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).