N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide

C22H24FN3O2 — CID 142932537

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide
SMILESO=C(CF)CCCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24FN3O2/c23-15-17(27)11-5-2-6-14-20(26-22(28)16-9-3-1-4-10-16)21-24-18-12-7-8-13-19(18)25-21/h1,3-4,7-10,12-13,20H,2,5-6,11,14-15H2,(H,24,25)(H,26,28)/t20-/m0/s1
InChIKeyWBSMRGHYQGPKIT-FQEVSTJZSA-N
MW381.45 g/mol
LogP4.52
Rot. Bonds10

About N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide (PubChem CID 142932537) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide
PubChem CID142932537
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide
SMILESO=C(CF)CCCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H24FN3O2/c23-15-17(27)11-5-2-6-14-20(26-22(28)16-9-3-1-4-10-16)21-24-18-12-7-8-13-19(18)25-21/h1,3-4,7-10,12-13,20H,2,5-6,11,14-15H2,(H,24,25)(H,26,28)/t20-/m0/s1
InChIKeyWBSMRGHYQGPKIT-FQEVSTJZSA-N
XLogP4.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
CID 166563053
N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
CID 3484106
N-[1-(1H-benzimidazol-2-yl)-2-(1H-indol-3-yl)ethyl]benzamide
CID 3582836
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzamide
CID 3762861
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
N-[4-(1-aminoprop-2-enylideneamino)-1-(1H-benzimidazol-2-yl)butyl]-4-phenylbenzamide
CID 176698881
N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide
CID 95175043
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-ethylbenzamide
CID 4807139
N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
CID 948873
4-amino-N-[4-[(1-amino-2-chloroethylidene)amino]-1-(1H-benzimidazol-2-yl)butyl]benzamide;4-aminophenol
CID 176698834
N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide
CID 4963983
N-[1-(1H-benzimidazol-2-yl)butyl]-3-nitrobenzamide
CID 4300836

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide (CID 142932537) is N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide is O=C(CF)CCCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide?
The InChIKey is WBSMRGHYQGPKIT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-15-17(27)11-5-2-6-14-20(26-22(28)16-9-3-1-4-10-16)21-24-18-12-7-8-13-19(18)25-21/h1,3-4,7-10,12-13,20H,2,5-6,11,14-15H2,(H,24,25)(H,26,28)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide has a molecular weight of 381.45 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide is sourced from PubChem (CID 142932537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).