1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine

C46H37Cl3FN9 — CID 91247036

IUPAC1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc(C)cc3)N(c3ccc4ncccc4c3)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2ccc(F)cc21
InChIInChI=1S/C46H37Cl3FN9/c1-4-20-56-41-25-32(50)13-17-39(41)54-43(56)30-23-36(48)45(52-26-30)58(33-14-11-28(3)12-15-33)59(34-16-18-38-29(22-34)8-7-19-51-38)46-37(49)24-31(27-53-46)44-55-40-10-6-9-35(47)42(40)57(44)21-5-2/h6-19,22-27H,4-5,20-21H2,1-3H3
InChIKeyFWUCLNLDUKORAF-UHFFFAOYSA-N
MW841.22 g/mol
LogP13.18
Rot. Bonds11

About 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine

1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine (PubChem CID 91247036) has the molecular formula C46H37Cl3FN9 and a molecular weight of 841.22 g/mol. Its IUPAC name is 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine.

Molecular Properties

Compound Name1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine
PubChem CID91247036
Molecular FormulaC46H37Cl3FN9
Molecular Weight841.22 g/mol
Exact Mass839.22
IUPAC Name1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine
SMILESCCCn1c(-c2cnc(N(c3ccc(C)cc3)N(c3ccc4ncccc4c3)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2ccc(F)cc21
InChIInChI=1S/C46H37Cl3FN9/c1-4-20-56-41-25-32(50)13-17-39(41)54-43(56)30-23-36(48)45(52-26-30)58(33-14-11-28(3)12-15-33)59(34-16-18-38-29(22-34)8-7-19-51-38)46-37(49)24-31(27-53-46)44-55-40-10-6-9-35(47)42(40)57(44)21-5-2/h6-19,22-27H,4-5,20-21H2,1-3H3
InChIKeyFWUCLNLDUKORAF-UHFFFAOYSA-N
XLogP13.18
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.22
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine with MolForge

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Related Compounds

7-Chloro-4-[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]quinoline
CID 25211979
4-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]-3-fluoropyridin-2-amine
CID 134362756
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]pyridin-2-amine
CID 134372840
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]pyridin-2-amine
CID 134372909
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]-3-fluoropyridin-2-amine
CID 134372941
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propylbenzimidazol-5-yl]pyridin-2-amine
CID 134372962
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]pyridin-2-amine
CID 134372984
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-propyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]-3-fluoropyridin-2-amine
CID 134373002
4-[3-(8-chloro-3-methylquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]-3-fluoropyridin-2-amine
CID 134373009
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylbenzimidazol-5-yl]pyridin-2-amine
CID 134373019
8-chloro-N4-(3-chloro-4-fluorophenyl)-N6-((1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl)(phenyl)methyl) quinazoline-4,6-diamine
CID 136213703
(S)-8-chloro-N4-(3-chloro-4-fluorophenyl)-N6-((1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl)(phenyl)methyl) quinazoline-4,6-diamine
CID 136213704

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine?
The IUPAC name of 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine (CID 91247036) is 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine.
What is the SMILES notation for 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine?
The canonical SMILES for 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine is CCCn1c(-c2cnc(N(c3ccc(C)cc3)N(c3ccc4ncccc4c3)c3ncc(-c4nc5cccc(Cl)c5n4CCC)cc3Cl)c(Cl)c2)nc2ccc(F)cc21.
What is the InChIKey of 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine?
The InChIKey is FWUCLNLDUKORAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37Cl3FN9/c1-4-20-56-41-25-32(50)13-17-39(41)54-43(56)30-23-36(48)45(52-26-30)58(33-14-11-28(3)12-15-33)59(34-16-18-38-29(22-34)8-7-19-51-38)46-37(49)24-31(27-53-46)44-55-40-10-6-9-35(47)42(40)57(44)21-5-2/h6-19,22-27H,4-5,20-21H2,1-3H3.
What are the key properties of 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine?
1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine has a molecular weight of 841.22 g/mol, XLogP of 13.18, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-[3-chloro-5-(6-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-2-(4-methylphenyl)-1-quinolin-6-ylhydrazine is sourced from PubChem (CID 91247036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).