4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole

C23H17Cl2N3 — CID 3357002

IUPAC4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=CC(c3ccc(Cl)cc3Cl)n3c(nc4ccccc43)N2)cc1
InChIInChI=1S/C23H17Cl2N3/c1-14-6-8-15(9-7-14)20-13-22(17-11-10-16(24)12-18(17)25)28-21-5-3-2-4-19(21)26-23(28)27-20/h2-13,22H,1H3,(H,26,27)
InChIKeyGDNFOQROBBTMGN-UHFFFAOYSA-N
MW406.32 g/mol
LogP6.71
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole

4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 3357002) has the molecular formula C23H17Cl2N3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID3357002
Molecular FormulaC23H17Cl2N3
Molecular Weight406.32 g/mol
Exact Mass405.08
IUPAC Name4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=CC(c3ccc(Cl)cc3Cl)n3c(nc4ccccc43)N2)cc1
InChIInChI=1S/C23H17Cl2N3/c1-14-6-8-15(9-7-14)20-13-22(17-11-10-16(24)12-18(17)25)28-21-5-3-2-4-19(21)26-23(28)27-20/h2-13,22H,1H3,(H,26,27)
InChIKeyGDNFOQROBBTMGN-UHFFFAOYSA-N
XLogP6.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 3357002) is 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is Cc1ccc(C2=CC(c3ccc(Cl)cc3Cl)n3c(nc4ccccc43)N2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is GDNFOQROBBTMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3/c1-14-6-8-15(9-7-14)20-13-22(17-11-10-16(24)12-18(17)25)28-21-5-3-2-4-19(21)26-23(28)27-20/h2-13,22H,1H3,(H,26,27).
What are the key properties of 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 406.32 g/mol, XLogP of 6.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 3357002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).