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Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate

C20H20FN3O4 — CID 154418731

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACpropyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate
SMILESCCCOC(=O)Nc1nc2ccc(C3(c4ccc(F)cc4)OCCO3)cc2[nH]1
InChIInChI=1S/C20H20FN3O4/c1-2-9-26-19(25)24-18-22-16-8-5-14(12-17(16)23-18)20(27-10-11-28-20)13-3-6-15(21)7-4-13/h3-8,12H,2,9-11H2,1H3,(H2,22,23,24,25)
InChIKeyNRKKPAOMSYCRAV-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.91
Rot. Bonds5

About Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate

Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 154418731) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound NamePropyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate
PubChem CID154418731
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Namepropyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate
SMILESCCCOC(=O)Nc1nc2ccc(C3(c4ccc(F)cc4)OCCO3)cc2[nH]1
InChIInChI=1S/C20H20FN3O4/c1-2-9-26-19(25)24-18-22-16-8-5-14(12-17(16)23-18)20(27-10-11-28-20)13-3-6-15(21)7-4-13/h3-8,12H,2,9-11H2,1H3,(H2,22,23,24,25)
InChIKeyNRKKPAOMSYCRAV-UHFFFAOYSA-N
XLogP3.91
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate (CID 154418731) is propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate is CCCOC(=O)Nc1nc2ccc(C3(c4ccc(F)cc4)OCCO3)cc2[nH]1.
What is the InChIKey of Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is NRKKPAOMSYCRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-2-9-26-19(25)24-18-22-16-8-5-14(12-17(16)23-18)20(27-10-11-28-20)13-3-6-15(21)7-4-13/h3-8,12H,2,9-11H2,1H3,(H2,22,23,24,25).
What are the key properties of Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate?
Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 385.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Propyl N-[6-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 154418731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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