(4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole

C23H16ClF2N3O — CID 136668065

IUPAC(4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESFC(F)Oc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2)cc1
InChIInChI=1S/C23H16ClF2N3O/c24-16-9-5-15(6-10-16)21-13-19(14-7-11-17(12-8-14)30-22(25)26)28-23-27-18-3-1-2-4-20(18)29(21)23/h1-13,21-22H,(H,27,28)/t21-/m1/s1
InChIKeyHNOVVTXJRGVRFO-OAQYLSRUSA-N
MW423.85 g/mol
LogP6.35
Rot. Bonds4

About (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole

(4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 136668065) has the molecular formula C23H16ClF2N3O and a molecular weight of 423.85 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID136668065
Molecular FormulaC23H16ClF2N3O
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC Name(4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESFC(F)Oc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2)cc1
InChIInChI=1S/C23H16ClF2N3O/c24-16-9-5-15(6-10-16)21-13-19(14-7-11-17(12-8-14)30-22(25)26)28-23-27-18-3-1-2-4-20(18)29(21)23/h1-13,21-22H,(H,27,28)/t21-/m1/s1
InChIKeyHNOVVTXJRGVRFO-OAQYLSRUSA-N
XLogP6.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.85
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 136668065) is (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole is FC(F)Oc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)N2)cc1.
What is the InChIKey of (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is HNOVVTXJRGVRFO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H16ClF2N3O/c24-16-9-5-15(6-10-16)21-13-19(14-7-11-17(12-8-14)30-22(25)26)28-23-27-18-3-1-2-4-20(18)29(21)23/h1-13,21-22H,(H,27,28)/t21-/m1/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole?
(4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 423.85 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chlorophenyl)-2-[4-(difluoromethoxy)phenyl]-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136668065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).