benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate

C20H22FN3O2 — CID 68968543

IUPACbenzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CNC(=O)OCc1ccccc1)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H22FN3O2/c1-20(2,11-18-23-16-9-8-15(21)10-17(16)24-18)13-22-19(25)26-12-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKQIDBAYNGODNME-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.20
Rot. Bonds6

About benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate

benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate (PubChem CID 68968543) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate
PubChem CID68968543
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Namebenzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate
SMILESCC(C)(CNC(=O)OCc1ccccc1)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H22FN3O2/c1-20(2,11-18-23-16-9-8-15(21)10-17(16)24-18)13-22-19(25)26-12-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKQIDBAYNGODNME-UHFFFAOYSA-N
XLogP4.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-[4-(2-chloro-4-fluorophenyl)but-3-enyl]carbamate
CID 170493581
benzyl N-[3-(6-bromo-1H-benzimidazol-2-yl)propyl]carbamate
CID 142734525
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]carbamate
CID 2065366
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
benzyl N-[3-(6-nitro-1H-benzimidazol-2-yl)propyl]carbamate
CID 142734497
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-[3-[4-fluoro-2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471475
benzyl N-[4-[2-(aminomethyl)-5-fluorophenyl]but-3-enyl]carbamate
CID 170494025
benzyl N-[6-(1H-benzimidazol-2-ylmethylamino)hexyl]carbamate
CID 20577728

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate?
The IUPAC name of benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate (CID 68968543) is benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate?
The canonical SMILES for benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate is CC(C)(CNC(=O)OCc1ccccc1)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate?
The InChIKey is KQIDBAYNGODNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-20(2,11-18-23-16-9-8-15(21)10-17(16)24-18)13-22-19(25)26-12-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate?
benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate has a molecular weight of 355.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(6-fluoro-1H-benzimidazol-2-yl)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 68968543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).