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

C43H38Cl2F2N10 — CID 91583716

IUPAC1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine
SMILESCCCCn1c(-c2cnc(N(c3ccc(C)nc3)N(c3ccc(C)nc3)c3ncc(-c4nc5c(F)cccc5n4CCC)cc3Cl)c(Cl)c2)nc2ccc(F)cc21
InChIInChI=1S/C43H38Cl2F2N10/c1-5-7-18-55-38-21-30(46)13-16-36(38)52-40(55)28-19-33(44)42(50-22-28)56(31-14-11-26(3)48-24-31)57(32-15-12-27(4)49-25-32)43-34(45)20-29(23-51-43)41-53-39-35(47)9-8-10-37(39)54(41)17-6-2/h8-16,19-25H,5-7,17-18H2,1-4H3
InChIKeyMDVLWYXOUIRNFJ-UHFFFAOYSA-N
MW803.75 g/mol
LogP11.60
Rot. Bonds12

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

1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine (PubChem CID 91583716) has the molecular formula C43H38Cl2F2N10 and a molecular weight of 803.75 g/mol. Its IUPAC name is 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine.

Molecular Properties

Compound Name1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine
PubChem CID91583716
Molecular FormulaC43H38Cl2F2N10
Molecular Weight803.75 g/mol
Exact Mass802.26
IUPAC Name1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine
SMILESCCCCn1c(-c2cnc(N(c3ccc(C)nc3)N(c3ccc(C)nc3)c3ncc(-c4nc5c(F)cccc5n4CCC)cc3Cl)c(Cl)c2)nc2ccc(F)cc21
InChIInChI=1S/C43H38Cl2F2N10/c1-5-7-18-55-38-21-30(46)13-16-36(38)52-40(55)28-19-33(44)42(50-22-28)56(31-14-11-26(3)48-24-31)57(32-15-12-27(4)49-25-32)43-34(45)20-29(23-51-43)41-53-39-35(47)9-8-10-37(39)54(41)17-6-2/h8-16,19-25H,5-7,17-18H2,1-4H3
InChIKeyMDVLWYXOUIRNFJ-UHFFFAOYSA-N
XLogP11.60
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.75
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gsk1331258
CID 46190877
8-(2-Chlorophenyl)-9-(4-chlorophenyl)-6-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]purine
CID 145987281
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-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine?
The IUPAC name of 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine (CID 91583716) is 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine.
What is the SMILES notation for 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine?
The canonical SMILES for 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine is CCCCn1c(-c2cnc(N(c3ccc(C)nc3)N(c3ccc(C)nc3)c3ncc(-c4nc5c(F)cccc5n4CCC)cc3Cl)c(Cl)c2)nc2ccc(F)cc21.
What is the InChIKey of 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine?
The InChIKey is MDVLWYXOUIRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38Cl2F2N10/c1-5-7-18-55-38-21-30(46)13-16-36(38)52-40(55)28-19-33(44)42(50-22-28)56(31-14-11-26(3)48-24-31)57(32-15-12-27(4)49-25-32)43-34(45)20-29(23-51-43)41-53-39-35(47)9-8-10-37(39)54(41)17-6-2/h8-16,19-25H,5-7,17-18H2,1-4H3.
What are the key properties of 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine?
1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine has a molecular weight of 803.75 g/mol, XLogP of 11.60, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-butyl-6-fluorobenzimidazol-2-yl)-3-chloro-2-pyridinyl]-2-[3-chloro-5-(4-fluoro-1-propylbenzimidazol-2-yl)-2-pyridinyl]-1,2-bis(6-methyl-3-pyridinyl)hydrazine is sourced from PubChem (CID 91583716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).