(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine

C26H23N3O — CID 7392449

IUPAC(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine
SMILESCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3nc(-c4ccccc4)cn32)cc1
InChIInChI=1S/C26H23N3O/c1-18-8-10-20(11-9-18)23-16-25(21-12-14-22(30-2)15-13-21)29-17-24(28-26(29)27-23)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3/t25-/m0/s1
InChIKeyJHVOUQGTZQMIBW-VWLOTQADSA-N
MW393.49 g/mol
LogP5.98
Rot. Bonds4

About (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine

(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine (PubChem CID 7392449) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine
PubChem CID7392449
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine
SMILESCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3nc(-c4ccccc4)cn32)cc1
InChIInChI=1S/C26H23N3O/c1-18-8-10-20(11-9-18)23-16-25(21-12-14-22(30-2)15-13-21)29-17-24(28-26(29)27-23)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3/t25-/m0/s1
InChIKeyJHVOUQGTZQMIBW-VWLOTQADSA-N
XLogP5.98
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
(3S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703928
(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 7357012
2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 139084202
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4,6-bis(4-methoxyphenyl)pyrimidine
CID 24807745
2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 41009659
(3R)-3-(4-methoxyphenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 7087817
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine?
The IUPAC name of (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine (CID 7392449) is (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine is COc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3nc(-c4ccccc4)cn32)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine?
The InChIKey is JHVOUQGTZQMIBW-VWLOTQADSA-N. The full InChI is InChI=1S/C26H23N3O/c1-18-8-10-20(11-9-18)23-16-25(21-12-14-22(30-2)15-13-21)29-17-24(28-26(29)27-23)19-6-4-3-5-7-19/h3-15,17,25H,16H2,1-2H3/t25-/m0/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine?
(5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine has a molecular weight of 393.49 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)-7-(4-methylphenyl)-2-phenyl-5,6-dihydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 7392449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).