5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine

C21H18N4S — CID 508517

IUPAC5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine
SMILESCSc1ncc(C(c2ccccc2)n2ccnc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H18N4S/c1-26-21-23-14-18(19(24-21)16-8-4-2-5-9-16)20(25-13-12-22-15-25)17-10-6-3-7-11-17/h2-15,20H,1H3
InChIKeyYHXDBQQNBUIOSQ-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.70
Rot. Bonds5

About 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine

5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine (PubChem CID 508517) has the molecular formula C21H18N4S and a molecular weight of 358.47 g/mol. Its IUPAC name is 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine.

Molecular Properties

Compound Name5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine
PubChem CID508517
Molecular FormulaC21H18N4S
Molecular Weight358.47 g/mol
Exact Mass358.13
IUPAC Name5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine
SMILESCSc1ncc(C(c2ccccc2)n2ccnc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H18N4S/c1-26-21-23-14-18(19(24-21)16-8-4-2-5-9-16)20(25-13-12-22-15-25)17-10-6-3-7-11-17/h2-15,20H,1H3
InChIKeyYHXDBQQNBUIOSQ-UHFFFAOYSA-N
XLogP4.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzhydrylimidazole;hydrobromide
CID 174865219
N-methyl-2-methylsulfanyl-4-phenylpyrimidin-5-amine
CID 141028428
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096
2-methylsulfanyl-4-phenyl-5-(trifluoromethyl)pyrimidine
CID 71232496
6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
CID 19875835
3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
CID 15564624
6-methylsulfanyl-1,3-diphenylpyrazolo[3,4-d]pyrimidine
CID 171099009
[imidazol-1-yl(phenyl)methyl]hydrazine
CID 102225378
5-(1-imidazol-1-ylpropyl)-2-phenylpyridine
CID 57329941
2-methylsulfanyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 53213011
5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole
CID 174253114
1-[1-(4-methylphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
CID 510049

Frequently Asked Questions

What is the IUPAC name of 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine?
The IUPAC name of 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine (CID 508517) is 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine.
What is the SMILES notation for 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine?
The canonical SMILES for 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine is CSc1ncc(C(c2ccccc2)n2ccnc2)c(-c2ccccc2)n1.
What is the InChIKey of 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine?
The InChIKey is YHXDBQQNBUIOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4S/c1-26-21-23-14-18(19(24-21)16-8-4-2-5-9-16)20(25-13-12-22-15-25)17-10-6-3-7-11-17/h2-15,20H,1H3.
What are the key properties of 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine?
5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine has a molecular weight of 358.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[imidazol-1-yl(phenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine is sourced from PubChem (CID 508517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).