2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one

C23H15ClFN3O — CID 45031577

IUPAC2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccccc3F)c3ccccc3n12
InChIInChI=1S/C23H15ClFN3O/c24-17-11-9-15(10-12-17)19-13-22(29)28-21-8-4-3-7-20(21)27(23(28)26-19)14-16-5-1-2-6-18(16)25/h1-13H,14H2
InChIKeySRDLCDLVGCQFIL-UHFFFAOYSA-N
MW403.84 g/mol
LogP5.16
Rot. Bonds3

About 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one

2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 45031577) has the molecular formula C23H15ClFN3O and a molecular weight of 403.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
PubChem CID45031577
Molecular FormulaC23H15ClFN3O
Molecular Weight403.84 g/mol
Exact Mass403.09
IUPAC Name2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccccc3F)c3ccccc3n12
InChIInChI=1S/C23H15ClFN3O/c24-17-11-9-15(10-12-17)19-13-22(29)28-21-8-4-3-7-20(21)27(23(28)26-19)14-16-5-1-2-6-18(16)25/h1-13H,14H2
InChIKeySRDLCDLVGCQFIL-UHFFFAOYSA-N
XLogP5.16
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4-Chlorobenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2852770
2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(2,4-difluorophenyl)acetamide
CID 50821545
1,3-Bis[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-one
CID 1927569
9-(4-chlorobenzyl)-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 654859
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(propan-2-yl)acetamide
CID 45031676
10-Benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 386676
10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 652645
10-(2-chlorobenzyl)-2-ethylpyrimido[1,2-a]benzimidazol-4(10H)-one
CID 45031435
2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(2,5-difluorophenyl)acetamide
CID 45031458
10-[(3-Fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one
CID 45031583
N-(2,4-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10(4H)-yl)acetamide
CID 45031757
N-(2,5-difluorophenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10(4H)-yl)acetamide
CID 45031764

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one (CID 45031577) is 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one is O=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccccc3F)c3ccccc3n12.
What is the InChIKey of 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is SRDLCDLVGCQFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O/c24-17-11-9-15(10-12-17)19-13-22(29)28-21-8-4-3-7-20(21)27(23(28)26-19)14-16-5-1-2-6-18(16)25/h1-13H,14H2.
What are the key properties of 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 403.84 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-10-[(2-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 45031577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).