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

C20H23FN4O2 — CID 77456065

IUPACtert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/C20H23FN4O2/c1-5-14(24-19(26)27-20(2,3)4)18-23-15-10-9-13(21)12-16(15)25(18)17-8-6-7-11-22-17/h6-12,14H,5H2,1-4H3,(H,24,26)
InChIKeyYWJUNRMCDHZEKW-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.54
Rot. Bonds4

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

tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate (PubChem CID 77456065) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
PubChem CID77456065
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Nametert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/C20H23FN4O2/c1-5-14(24-19(26)27-20(2,3)4)18-23-15-10-9-13(21)12-16(15)25(18)17-8-6-7-11-22-17/h6-12,14H,5H2,1-4H3,(H,24,26)
InChIKeyYWJUNRMCDHZEKW-UHFFFAOYSA-N
XLogP4.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate
CID 77456455
tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
CID 123741039
tert-butyl N-[1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxypropyl]carbamate
CID 77456112
tert-butyl N-[(1S)-1-[3-(1,3-dihydroisoindol-2-yl)-5-fluoro-4-oxoquinazolin-2-yl]propyl]carbamate
CID 141459076
tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
CID 123415013
tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
CID 59634688
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[(1S)-1-(4-oxo-3-phenyl-5-prop-1-ynylquinazolin-2-yl)propyl]carbamate
CID 151110039
tert-butyl N-[(1R)-1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-pyridin-2-ylethyl]carbamate
CID 59438755
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate
CID 95336152
tert-butyl N-[(1S)-1-[5-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-oxo-3-phenylquinazolin-2-yl]propyl]carbamate
CID 146634121

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate (CID 77456065) is tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate is CCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2n1-c1ccccn1.
What is the InChIKey of tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate?
The InChIKey is YWJUNRMCDHZEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-5-14(24-19(26)27-20(2,3)4)18-23-15-10-9-13(21)12-16(15)25(18)17-8-6-7-11-22-17/h6-12,14H,5H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate?
tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate has a molecular weight of 370.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate is sourced from PubChem (CID 77456065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).