4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide

C25H25FN4O3S — CID 50825232

IUPAC4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)Cc4cccc(F)c4)ccc3n2C)cc1
InChIInChI=1S/C25H25FN4O3S/c1-16(2)27-25(31)19-9-7-18(8-10-19)24-28-22-14-21(11-12-23(22)30(24)3)29-34(32,33)15-17-5-4-6-20(26)13-17/h4-14,16,29H,15H2,1-3H3,(H,27,31)
InChIKeyWLEJJQGCHGNZDZ-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.46
Rot. Bonds7

About 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide

4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide (PubChem CID 50825232) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
PubChem CID50825232
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC Name4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)Cc4cccc(F)c4)ccc3n2C)cc1
InChIInChI=1S/C25H25FN4O3S/c1-16(2)27-25(31)19-9-7-18(8-10-19)24-28-22-14-21(11-12-23(22)30(24)3)29-34(32,33)15-17-5-4-6-20(26)13-17/h4-14,16,29H,15H2,1-3H3,(H,27,31)
InChIKeyWLEJJQGCHGNZDZ-UHFFFAOYSA-N
XLogP4.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide (CID 50825232) is 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)Cc4cccc(F)c4)ccc3n2C)cc1.
What is the InChIKey of 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide?
The InChIKey is WLEJJQGCHGNZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c1-16(2)27-25(31)19-9-7-18(8-10-19)24-28-22-14-21(11-12-23(22)30(24)3)29-34(32,33)15-17-5-4-6-20(26)13-17/h4-14,16,29H,15H2,1-3H3,(H,27,31).
What are the key properties of 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide?
4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide has a molecular weight of 480.57 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-fluorophenyl)methylsulfonylamino]-1-methylbenzimidazol-2-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 50825232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).