N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide

C18H18FN3O — CID 948873

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
SMILESCCC[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18FN3O/c1-2-7-16(17-20-14-10-5-6-11-15(14)21-17)22-18(23)12-8-3-4-9-13(12)19/h3-6,8-11,16H,2,7H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyUIZUORHLXDRESL-INIZCTEOSA-N
MW311.36 g/mol
LogP3.97
Rot. Bonds5

About N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide (PubChem CID 948873) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
PubChem CID948873
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
SMILESCCC[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18FN3O/c1-2-7-16(17-20-14-10-5-6-11-15(14)21-17)22-18(23)12-8-3-4-9-13(12)19/h3-6,8-11,16H,2,7H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyUIZUORHLXDRESL-INIZCTEOSA-N
XLogP3.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
CID 3484106
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
CID 166563053
N-[1-(1H-benzimidazol-2-yl)butyl]-3-nitrobenzamide
CID 4300836
N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide
CID 4963983
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzamide
CID 3762861
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-bromo-4-fluorobenzamide
CID 55430385

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide (CID 948873) is N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide is CCC[C@H](NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide?
The InChIKey is UIZUORHLXDRESL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-2-7-16(17-20-14-10-5-6-11-15(14)21-17)22-18(23)12-8-3-4-9-13(12)19/h3-6,8-11,16H,2,7H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide has a molecular weight of 311.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide is sourced from PubChem (CID 948873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).