1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone

C19H15Cl2N3O — CID 16585365

IUPAC1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
SMILESCC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O/c1-10-17(11(2)25)18(13-8-7-12(20)9-14(13)21)24-16-6-4-3-5-15(16)23-19(24)22-10/h3-9,18H,1-2H3,(H,22,23)
InChIKeyIEGBMBHBBRZNOT-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.22
Rot. Bonds2

About 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone

1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone (PubChem CID 16585365) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
PubChem CID16585365
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
SMILESCC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2N3O/c1-10-17(11(2)25)18(13-8-7-12(20)9-14(13)21)24-16-6-4-3-5-15(16)23-19(24)22-10/h3-9,18H,1-2H3,(H,22,23)
InChIKeyIEGBMBHBBRZNOT-UHFFFAOYSA-N
XLogP5.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone (CID 16585365) is 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone is CC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone?
The InChIKey is IEGBMBHBBRZNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c1-10-17(11(2)25)18(13-8-7-12(20)9-14(13)21)24-16-6-4-3-5-15(16)23-19(24)22-10/h3-9,18H,1-2H3,(H,22,23).
What are the key properties of 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone?
1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone has a molecular weight of 372.26 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone is sourced from PubChem (CID 16585365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).