tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate

C20H23FN4O2 — CID 123741039

IUPACtert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/C20H23FN4O2/c1-20(2,3)27-19(26)23-12-6-8-18-24-15-10-9-14(21)13-16(15)25(18)17-7-4-5-11-22-17/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,23,26)
InChIKeySLVQBDGNADOQLF-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.02
Rot. Bonds5

About tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate

tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate (PubChem CID 123741039) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
PubChem CID123741039
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Nametert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCc1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/C20H23FN4O2/c1-20(2,3)27-19(26)23-12-6-8-18-24-15-10-9-14(21)13-16(15)25(18)17-7-4-5-11-22-17/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,23,26)
InChIKeySLVQBDGNADOQLF-UHFFFAOYSA-N
XLogP4.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate (CID 123741039) is tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCc1nc2ccc(F)cc2n1-c1ccccn1.
What is the InChIKey of tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate?
The InChIKey is SLVQBDGNADOQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-20(2,3)27-19(26)23-12-6-8-18-24-15-10-9-14(21)13-16(15)25(18)17-7-4-5-11-22-17/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate?
tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate has a molecular weight of 370.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate is sourced from PubChem (CID 123741039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).