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

C20H19N3O — CID 92695415

IUPAC1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
SMILESCC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C
InChIInChI=1S/C20H19N3O/c1-12-8-4-5-9-15(12)19-18(14(3)24)13(2)21-20-22-16-10-6-7-11-17(16)23(19)20/h4-11,19H,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyQEHYHVKALABHNR-LJQANCHMSA-N
MW317.39 g/mol
LogP4.22
Rot. Bonds2

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

1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone (PubChem CID 92695415) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
PubChem CID92695415
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
SMILESCC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C
InChIInChI=1S/C20H19N3O/c1-12-8-4-5-9-15(12)19-18(14(3)24)13(2)21-20-22-16-10-6-7-11-17(16)23(19)20/h4-11,19H,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyQEHYHVKALABHNR-LJQANCHMSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,4-dichlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
CID 16585365
2-methoxyethyl (4S)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7339168
1-[(4R)-4-(1H-indol-3-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
CID 92695395
(4R)-N-(4-methoxyphenyl)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 41002343
1-[2-methyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
CID 16652819
(4R)-4-(2-chlorophenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 41002189
1-[(4S)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
CID 42536732
ethyl (4R)-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7307565
propan-2-yl (4S)-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7339150
ethyl 4-(2-chlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4860234
(4S)-4-(2-chlorophenyl)-N,N-diethyl-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 51404516
4-(2-chlorophenyl)-N-(4-chlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 15991993

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone?
The IUPAC name of 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone (CID 92695415) is 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone.
What is the SMILES notation for 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone?
The canonical SMILES for 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone is CC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C.
What is the InChIKey of 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone?
The InChIKey is QEHYHVKALABHNR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12-8-4-5-9-15(12)19-18(14(3)24)13(2)21-20-22-16-10-6-7-11-17(16)23(19)20/h4-11,19H,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone?
1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2-methyl-4-(2-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone is sourced from PubChem (CID 92695415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).