N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide

C24H19FN4O2 — CID 155956165

IUPACN-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESO=C(CC1C(=O)Nc2c(F)cccc21)Nc1cccc(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C24H19FN4O2/c25-18-8-4-7-16-17(24(31)29-23(16)18)13-22(30)26-15-6-3-5-14(11-15)12-21-27-19-9-1-2-10-20(19)28-21/h1-11,17H,12-13H2,(H,26,30)(H,27,28)(H,29,31)
InChIKeyPTWJPOUGKDSFME-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.36
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide

N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide (PubChem CID 155956165) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
PubChem CID155956165
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC NameN-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILESO=C(CC1C(=O)Nc2c(F)cccc21)Nc1cccc(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C24H19FN4O2/c25-18-8-4-7-16-17(24(31)29-23(16)18)13-22(30)26-15-6-3-5-14(11-15)12-21-27-19-9-1-2-10-20(19)28-21/h1-11,17H,12-13H2,(H,26,30)(H,27,28)(H,29,31)
InChIKeyPTWJPOUGKDSFME-UHFFFAOYSA-N
XLogP4.36
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
2-cyclohexyl-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
CID 163397660
1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
CID 3844150
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
CID 9292522
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea
CID 1454662
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 41015281

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide (CID 155956165) is N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide is O=C(CC1C(=O)Nc2c(F)cccc21)Nc1cccc(Cc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide?
The InChIKey is PTWJPOUGKDSFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-18-8-4-7-16-17(24(31)29-23(16)18)13-22(30)26-15-6-3-5-14(11-15)12-21-27-19-9-1-2-10-20(19)28-21/h1-11,17H,12-13H2,(H,26,30)(H,27,28)(H,29,31).
What are the key properties of N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide?
N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide has a molecular weight of 414.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide is sourced from PubChem (CID 155956165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).