N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

C24H16F2N4O2 — CID 45031757

IUPACN-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3ccccc3)nc12)Nc1ccc(F)cc1F
InChIInChI=1S/C24H16F2N4O2/c25-16-10-11-18(17(26)12-16)27-22(31)14-29-20-8-4-5-9-21(20)30-23(32)13-19(28-24(29)30)15-6-2-1-3-7-15/h1-13H,14H2,(H,27,31)
InChIKeyBBEIQZFENHZASE-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.23
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide (PubChem CID 45031757) has the molecular formula C24H16F2N4O2 and a molecular weight of 430.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
PubChem CID45031757
Molecular FormulaC24H16F2N4O2
Molecular Weight430.41 g/mol
Exact Mass430.12
IUPAC NameN-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3ccccc3)nc12)Nc1ccc(F)cc1F
InChIInChI=1S/C24H16F2N4O2/c25-16-10-11-18(17(26)12-16)27-22(31)14-29-20-8-4-5-9-21(20)30-23(32)13-19(28-24(29)30)15-6-2-1-3-7-15/h1-13H,14H2,(H,27,31)
InChIKeyBBEIQZFENHZASE-UHFFFAOYSA-N
XLogP4.23
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
CID 53376045
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
CID 1109829
5-[2-[4-(dimethylamino)phenyl]ethyl]-7-fluoro-N-(2-fluorophenyl)-3-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 44316473
N-(2-amino-4-fluorophenyl)-4-[[5-amino-7-oxo-6-(3-phenylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]methyl]benzamide
CID 168297589
US11479560, Title ww5-52
CID 139535816
US11479560, Title ww5-210
CID 139536060
US11479560, Title ww5-194
CID 139536130
US11479560, Title KM-4-237-2
CID 156272817
2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(2,4-difluorophenyl)acetamide
CID 50821545
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 54730367
N-[(4-fluorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 54730368
2-fluoro-N-[(2S)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-3-(4-methylphenyl)propyl]acetamide
CID 139535819

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide (CID 45031757) is N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide is O=C(Cn1c2ccccc2n2c(=O)cc(-c3ccccc3)nc12)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The InChIKey is BBEIQZFENHZASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2/c25-16-10-11-18(17(26)12-16)27-22(31)14-29-20-8-4-5-9-21(20)30-23(32)13-19(28-24(29)30)15-6-2-1-3-7-15/h1-13H,14H2,(H,27,31).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide has a molecular weight of 430.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide is sourced from PubChem (CID 45031757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).