7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine

C20H17N3OS — CID 69376905

IUPAC7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(-c3ccccc3)c(-c3ccc(S(C)=O)cc3)nc2n1
InChIInChI=1S/C20H17N3OS/c1-14-12-13-23-19(16-6-4-3-5-7-16)18(22-20(23)21-14)15-8-10-17(11-9-15)25(2)24/h3-13H,1-2H3
InChIKeyKLJJBKVSEOQPOY-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.11
Rot. Bonds3

About 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine

7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine (PubChem CID 69376905) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
PubChem CID69376905
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(-c3ccccc3)c(-c3ccc(S(C)=O)cc3)nc2n1
InChIInChI=1S/C20H17N3OS/c1-14-12-13-23-19(16-6-4-3-5-7-16)18(22-20(23)21-14)15-8-10-17(11-9-15)25(2)24/h3-13H,1-2H3
InChIKeyKLJJBKVSEOQPOY-UHFFFAOYSA-N
XLogP4.11
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
CID 146163534
7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
CID 69376587
9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole
CID 159785437
3-(3-chloro-4-propylsulfinylphenyl)-2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidine
CID 69377762
3-[4-(cyclohexylmethylsulfonyl)phenyl]-2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidine
CID 69377336
5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 159082261
2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine
CID 90362578
hydrogen peroxide;1-methylsulfanyl-4-phenylbenzene;1-methylsulfinyl-4-phenylbenzene
CID 159923023
7-methoxy-3-(4-methylphenyl)-2-phenylimidazo[1,2-a]pyridine
CID 132581809
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
2-[4-(6-diphenylphosphoryl-3-pyridinyl)phenyl]-3-phenylimidazo[1,2-a]pyrimidine
CID 129257014
3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 69375800

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine (CID 69376905) is 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine is Cc1ccn2c(-c3ccccc3)c(-c3ccc(S(C)=O)cc3)nc2n1.
What is the InChIKey of 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is KLJJBKVSEOQPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14-12-13-23-19(16-6-4-3-5-7-16)18(22-20(23)21-14)15-8-10-17(11-9-15)25(2)24/h3-13H,1-2H3.
What are the key properties of 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine?
7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 347.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 69376905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).