N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C23H19F2N3O2 — CID 167760177

IUPACN-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESO=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C23H19F2N3O2/c24-16-7-4-8-17(25)22(16)15-6-1-2-9-18(15)26-21(29)10-3-5-14-11-12-19-20(13-14)28-23(30)27-19/h1-2,4,6-9,11-13H,3,5,10H2,(H,26,29)(H2,27,28,30)
InChIKeyFCOPYEFBRBUMDH-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.76
Rot. Bonds6

About N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 167760177) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID167760177
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC NameN-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESO=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C23H19F2N3O2/c24-16-7-4-8-17(25)22(16)15-6-1-2-9-18(15)26-21(29)10-3-5-14-11-12-19-20(13-14)28-23(30)27-19/h1-2,4,6-9,11-13H,3,5,10H2,(H,26,29)(H2,27,28,30)
InChIKeyFCOPYEFBRBUMDH-UHFFFAOYSA-N
XLogP4.76
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]benzamide;hydrochloride
CID 120604115
4-(3-aminophenyl)-N-(2-fluorophenyl)butanamide
CID 94281790
3-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoylamino]propanoic acid
CID 119350958
N-(4-chloro-3-fluoro-2-morpholin-4-ylphenyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 154857682
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
N-(2-amino-2-ethylbutyl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;hydrochloride
CID 119642796
N-(benzimidazol-1-yl)-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 166197703
3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 18160949
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
3-(3-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 110785273

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 167760177) is N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccccc1-c1c(F)cccc1F.
What is the InChIKey of N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is FCOPYEFBRBUMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-16-7-4-8-17(25)22(16)15-6-1-2-9-18(15)26-21(29)10-3-5-14-11-12-19-20(13-14)28-23(30)27-19/h1-2,4,6-9,11-13H,3,5,10H2,(H,26,29)(H2,27,28,30).
What are the key properties of N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 407.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)phenyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 167760177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).