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

C23H18ClN3 — CID 138979214

IUPAC2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=CC(c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C23H18ClN3/c1-15-6-8-17(9-7-15)22-14-20(16-10-12-18(24)13-11-16)26-23-25-19-4-2-3-5-21(19)27(22)23/h2-14,20H,1H3,(H,25,26)
InChIKeyDJWHMIFITMSHRH-UHFFFAOYSA-N
MW371.87 g/mol
LogP6.05
Rot. Bonds2

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

2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 138979214) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole
PubChem CID138979214
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC Name2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=CC(c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C23H18ClN3/c1-15-6-8-17(9-7-15)22-14-20(16-10-12-18(24)13-11-16)26-23-25-19-4-2-3-5-21(19)27(22)23/h2-14,20H,1H3,(H,25,26)
InChIKeyDJWHMIFITMSHRH-UHFFFAOYSA-N
XLogP6.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole (CID 138979214) is 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole is Cc1ccc(C2=CC(c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is DJWHMIFITMSHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3/c1-15-6-8-17(9-7-15)22-14-20(16-10-12-18(24)13-11-16)26-23-25-19-4-2-3-5-21(19)27(22)23/h2-14,20H,1H3,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole?
2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 371.87 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-methylphenyl)-1,2-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 138979214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).