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

C20H23FN4O3 — CID 77456455

IUPACtert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate
SMILESCOCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/C20H23FN4O3/c1-20(2,3)28-19(26)24-15(12-27-4)18-23-14-9-8-13(21)11-16(14)25(18)17-7-5-6-10-22-17/h5-11,15H,12H2,1-4H3,(H,24,26)
InChIKeySNXSCAURYULCKE-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.77
Rot. Bonds5

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

tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate (PubChem CID 77456455) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate
PubChem CID77456455
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Nametert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate
SMILESCOCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2n1-c1ccccn1
InChIInChI=1S/C20H23FN4O3/c1-20(2,3)28-19(26)24-15(12-27-4)18-23-14-9-8-13(21)11-16(14)25(18)17-7-5-6-10-22-17/h5-11,15H,12H2,1-4H3,(H,24,26)
InChIKeySNXSCAURYULCKE-UHFFFAOYSA-N
XLogP3.77
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[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
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(3-oxopropyl)-1-pyridin-2-ylindol-3-yl]propanoate
CID 102097909
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[1-[6-fluoro-1-[3-(3-methoxycyclobutyl)prop-2-enyl]benzimidazol-2-yl]ethyl]carbamate
CID 123349458
tert-butyl N-[(1S)-1-[4-(ethylcarbamoyl)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
CID 59634688
tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
CID 67048287
tert-butyl N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]carbamate
CID 73098567
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-[(1S)-1-(2-chloro-5-fluorophenyl)-2-hydroxyethyl]carbamate
CID 125497690
(3R)-3-(2,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7015494

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate (CID 77456455) is tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate is COCC(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)-2-methoxyethyl]carbamate?
The InChIKey is SNXSCAURYULCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-20(2,3)28-19(26)24-15(12-27-4)18-23-14-9-8-13(21)11-16(14)25(18)17-7-5-6-10-22-17/h5-11,15H,12H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate?
tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate has a molecular weight of 386.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)-2-methoxyethyl]carbamate is sourced from PubChem (CID 77456455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).