1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine

C48H65FN12 — CID 91199156

IUPAC1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine
SMILESCCCc1nc(N(CCCC2CCN(C)CC2)N(CCCC2CCN(C)CC2)c2ncc(-c3nc4c(C)c(F)ccc4[nH]3)c(CC)n2)ncc1-c1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C48H65FN12/c1-8-12-40-37(46-52-41-17-15-31(3)32(4)43(41)56-46)30-51-48(55-40)61(24-11-14-35-21-27-59(7)28-22-35)60(23-10-13-34-19-25-58(6)26-20-34)47-50-29-36(39(9-2)54-47)45-53-42-18-16-38(49)33(5)44(42)57-45/h15-18,29-30,34-35H,8-14,19-28H2,1-7H3,(H,52,56)(H,53,57)
InChIKeyCKVVSSAZZWAIAK-UHFFFAOYSA-N
MW829.13 g/mol
LogP9.40
Rot. Bonds16

About 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine

1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine (PubChem CID 91199156) has the molecular formula C48H65FN12 and a molecular weight of 829.13 g/mol. Its IUPAC name is 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine.

Molecular Properties

Compound Name1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine
PubChem CID91199156
Molecular FormulaC48H65FN12
Molecular Weight829.13 g/mol
Exact Mass828.54
IUPAC Name1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine
SMILESCCCc1nc(N(CCCC2CCN(C)CC2)N(CCCC2CCN(C)CC2)c2ncc(-c3nc4c(C)c(F)ccc4[nH]3)c(CC)n2)ncc1-c1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C48H65FN12/c1-8-12-40-37(46-52-41-17-15-31(3)32(4)43(41)56-46)30-51-48(55-40)61(24-11-14-35-21-27-59(7)28-22-35)60(23-10-13-34-19-25-58(6)26-20-34)47-50-29-36(39(9-2)54-47)45-53-42-18-16-38(49)33(5)44(42)57-45/h15-18,29-30,34-35H,8-14,19-28H2,1-7H3,(H,52,56)(H,53,57)
InChIKeyCKVVSSAZZWAIAK-UHFFFAOYSA-N
XLogP9.40
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.13
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine?
The IUPAC name of 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine (CID 91199156) is 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine.
What is the SMILES notation for 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine?
The canonical SMILES for 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine is CCCc1nc(N(CCCC2CCN(C)CC2)N(CCCC2CCN(C)CC2)c2ncc(-c3nc4c(C)c(F)ccc4[nH]3)c(CC)n2)ncc1-c1nc2c(C)c(C)ccc2[nH]1.
What is the InChIKey of 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine?
The InChIKey is CKVVSSAZZWAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H65FN12/c1-8-12-40-37(46-52-41-17-15-31(3)32(4)43(41)56-46)30-51-48(55-40)61(24-11-14-35-21-27-59(7)28-22-35)60(23-10-13-34-19-25-58(6)26-20-34)47-50-29-36(39(9-2)54-47)45-53-42-18-16-38(49)33(5)44(42)57-45/h15-18,29-30,34-35H,8-14,19-28H2,1-7H3,(H,52,56)(H,53,57).
What are the key properties of 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine?
1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine has a molecular weight of 829.13 g/mol, XLogP of 9.40, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dimethyl-1H-benzimidazol-2-yl)-4-propylpyrimidin-2-yl]-2-[4-ethyl-5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine is sourced from PubChem (CID 91199156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).