7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole

C20H20F2N4 — CID 155243061

IUPAC7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole
SMILESCC(C)n1cnc2ccc(CC(C)n3cnc4ccc(F)cc43)c(F)c21
InChIInChI=1S/C20H20F2N4/c1-12(2)25-10-24-17-6-4-14(19(22)20(17)25)8-13(3)26-11-23-16-7-5-15(21)9-18(16)26/h4-7,9-13H,8H2,1-3H3
InChIKeyVQDACCKRDJKGMO-UHFFFAOYSA-N
MW354.40 g/mol
LogP5.05
Rot. Bonds4

About 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole

7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole (PubChem CID 155243061) has the molecular formula C20H20F2N4 and a molecular weight of 354.40 g/mol. Its IUPAC name is 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole
PubChem CID155243061
Molecular FormulaC20H20F2N4
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole
SMILESCC(C)n1cnc2ccc(CC(C)n3cnc4ccc(F)cc43)c(F)c21
InChIInChI=1S/C20H20F2N4/c1-12(2)25-10-24-17-6-4-14(19(22)20(17)25)8-13(3)26-11-23-16-7-5-15(21)9-18(16)26/h4-7,9-13H,8H2,1-3H3
InChIKeyVQDACCKRDJKGMO-UHFFFAOYSA-N
XLogP5.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole?
The IUPAC name of 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole (CID 155243061) is 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole?
The canonical SMILES for 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole is CC(C)n1cnc2ccc(CC(C)n3cnc4ccc(F)cc43)c(F)c21.
What is the InChIKey of 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole?
The InChIKey is VQDACCKRDJKGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4/c1-12(2)25-10-24-17-6-4-14(19(22)20(17)25)8-13(3)26-11-23-16-7-5-15(21)9-18(16)26/h4-7,9-13H,8H2,1-3H3.
What are the key properties of 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole?
7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole has a molecular weight of 354.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-(6-fluorobenzimidazol-1-yl)propyl]-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 155243061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).