N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C24H16F2N4O2 — CID 55933918

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1
InChIInChI=1S/C24H16F2N4O2/c1-13-16-4-2-3-5-17(16)24(32)30(13)12-22(31)27-15-7-9-20-21(11-15)29-23(28-20)18-10-14(25)6-8-19(18)26/h2-11H,1,12H2,(H,27,31)(H,28,29)
InChIKeySPPIWGIKTJHYJG-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.57
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 55933918) has the molecular formula C24H16F2N4O2 and a molecular weight of 430.41 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID55933918
Molecular FormulaC24H16F2N4O2
Molecular Weight430.41 g/mol
Exact Mass430.12
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1
InChIInChI=1S/C24H16F2N4O2/c1-13-16-4-2-3-5-17(16)24(32)30(13)12-22(31)27-15-7-9-20-21(11-15)29-23(28-20)18-10-14(25)6-8-19(18)26/h2-11H,1,12H2,(H,27,31)(H,28,29)
InChIKeySPPIWGIKTJHYJG-UHFFFAOYSA-N
XLogP4.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52711183
2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110778994
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47066056
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 55933919
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55971085
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55933923
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55965099
N-[4-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 47066061
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55964966
(4S)-N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51967169

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 55933918) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is SPPIWGIKTJHYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2/c1-13-16-4-2-3-5-17(16)24(32)30(13)12-22(31)27-15-7-9-20-21(11-15)29-23(28-20)18-10-14(25)6-8-19(18)26/h2-11H,1,12H2,(H,27,31)(H,28,29).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 430.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 55933918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).