1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine

C44H39ClF2N8O — CID 90767090

IUPAC1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine
SMILESCCCn1c(-c2ccc(N(c3ccc(C)nc3)N(c3ccc(OC)cc3)c3ccc(-c4nc5cccc(F)c5n4CCC)cn3)c(Cl)c2)nc2ccc(F)cc21
InChIInChI=1S/C44H39ClF2N8O/c1-5-22-52-40-25-31(46)13-19-37(40)50-43(52)29-11-20-39(35(45)24-29)54(33-14-10-28(3)48-27-33)55(32-15-17-34(56-4)18-16-32)41-21-12-30(26-49-41)44-51-38-9-7-8-36(47)42(38)53(44)23-6-2/h7-21,24-27H,5-6,22-23H2,1-4H3
InChIKeyNPBLLXUBQHEWFQ-UHFFFAOYSA-N
MW769.30 g/mol
LogP11.47
Rot. Bonds12

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

1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine (PubChem CID 90767090) has the molecular formula C44H39ClF2N8O and a molecular weight of 769.30 g/mol. Its IUPAC name is 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine.

Molecular Properties

Compound Name1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine
PubChem CID90767090
Molecular FormulaC44H39ClF2N8O
Molecular Weight769.30 g/mol
Exact Mass768.29
IUPAC Name1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine
SMILESCCCn1c(-c2ccc(N(c3ccc(C)nc3)N(c3ccc(OC)cc3)c3ccc(-c4nc5cccc(F)c5n4CCC)cn3)c(Cl)c2)nc2ccc(F)cc21
InChIInChI=1S/C44H39ClF2N8O/c1-5-22-52-40-25-31(46)13-19-37(40)50-43(52)29-11-20-39(35(45)24-29)54(33-14-10-28(3)48-27-33)55(32-15-17-34(56-4)18-16-32)41-21-12-30(26-49-41)44-51-38-9-7-8-36(47)42(38)53(44)23-6-2/h7-21,24-27H,5-6,22-23H2,1-4H3
InChIKeyNPBLLXUBQHEWFQ-UHFFFAOYSA-N
XLogP11.47
TPSA77.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.30
LogP ≤ 511.47
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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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(2,6-difluorophenoxy)-9-ethylpurin-8-amine
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CID 44563047
US9650358, Example 118
CID 90412905
4-[[4-[4-[6-Chloro-2-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
CID 24738304
2-(5-Chloropyridin-2-yl)-1-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 53250020
(4-Chlorophenyl)-[4-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperazin-1-yl]methanethione
CID 57535575
13-Chloro-2-[1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 57535588
3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-N-(4-methoxyphenyl)pyridin-2-amine
CID 68721320
N-[2-chloro-4-(trifluoromethyl)phenyl]-7-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-ethyl-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-5-amine
CID 68912954
1-(2-Chloro-6-methylphenyl)-1,2-bis(1-pyrimidin-4-ylbenzimidazol-2-yl)-2-[2-(trifluoromethoxy)phenyl]hydrazine
CID 69259482
2-(5-Chloropyridin-2-yl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 70847997
4-[[4-[4-[6-Chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
CID 71175804

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine?
The IUPAC name of 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine (CID 90767090) is 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine.
What is the SMILES notation for 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine?
The canonical SMILES for 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine is CCCn1c(-c2ccc(N(c3ccc(C)nc3)N(c3ccc(OC)cc3)c3ccc(-c4nc5cccc(F)c5n4CCC)cn3)c(Cl)c2)nc2ccc(F)cc21.
What is the InChIKey of 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine?
The InChIKey is NPBLLXUBQHEWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39ClF2N8O/c1-5-22-52-40-25-31(46)13-19-37(40)50-43(52)29-11-20-39(35(45)24-29)54(33-14-10-28(3)48-27-33)55(32-15-17-34(56-4)18-16-32)41-21-12-30(26-49-41)44-51-38-9-7-8-36(47)42(38)53(44)23-6-2/h7-21,24-27H,5-6,22-23H2,1-4H3.
What are the key properties of 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine?
1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine has a molecular weight of 769.30 g/mol, XLogP of 11.47, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(6-fluoro-1-propylbenzimidazol-2-yl)phenyl]-2-[5-(7-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methoxyphenyl)-1-(6-methyl-3-pyridinyl)hydrazine is sourced from PubChem (CID 90767090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).