2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide

C24H15ClF2N4O2 — CID 45031458

IUPAC2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3ccc(Cl)cc3)nc12)Nc1cc(F)ccc1F
InChIInChI=1S/C24H15ClF2N4O2/c25-15-7-5-14(6-8-15)18-12-23(33)31-21-4-2-1-3-20(21)30(24(31)29-18)13-22(32)28-19-11-16(26)9-10-17(19)27/h1-12H,13H2,(H,28,32)
InChIKeyZBSLOIPKQBUKHZ-UHFFFAOYSA-N
MW464.86 g/mol
LogP4.89
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide

2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 45031458) has the molecular formula C24H15ClF2N4O2 and a molecular weight of 464.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide
PubChem CID45031458
Molecular FormulaC24H15ClF2N4O2
Molecular Weight464.86 g/mol
Exact Mass464.09
IUPAC Name2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3ccc(Cl)cc3)nc12)Nc1cc(F)ccc1F
InChIInChI=1S/C24H15ClF2N4O2/c25-15-7-5-14(6-8-15)18-12-23(33)31-21-4-2-1-3-20(21)30(24(31)29-18)13-22(32)28-19-11-16(26)9-10-17(19)27/h1-12H,13H2,(H,28,32)
InChIKeyZBSLOIPKQBUKHZ-UHFFFAOYSA-N
XLogP4.89
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide (CID 45031458) is 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide is O=C(Cn1c2ccccc2n2c(=O)cc(-c3ccc(Cl)cc3)nc12)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is ZBSLOIPKQBUKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF2N4O2/c25-15-7-5-14(6-8-15)18-12-23(33)31-21-4-2-1-3-20(21)30(24(31)29-18)13-22(32)28-19-11-16(26)9-10-17(19)27/h1-12H,13H2,(H,28,32).
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide?
2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 464.86 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 45031458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).