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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Related Compounds

tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
CID 77456065
tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate
CID 77456455
tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate
CID 123697961
tert-butyl N-[2-[3-(3,5-difluorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90238280
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[4-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)butyl]carbamate
CID 137476613
tert-butyl N-[2-(5-methyl-1-pyridin-2-ylpyrrol-2-yl)sulfanylethyl]carbamate
CID 171481616
tert-butyl N-[2-[1-(3-fluorophenyl)indol-2-yl]ethyl]carbamate
CID 123463276
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
CID 159133812
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[3-[3-anilino-4-oxo-5-(trifluoromethyl)quinazolin-2-yl]propyl]carbamate
CID 151923051
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195

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).