6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione

C23H23N5O4S — CID 4786576

IUPAC6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H23N5O4S/c1-3-12-27-20(24)19(21(30)26-22(27)31)18(29)13-33-23-25-16-6-4-5-7-17(16)28(23)14-8-10-15(32-2)11-9-14/h4-11H,3,12-13,24H2,1-2H3,(H,26,30,31)
InChIKeyOGUSPGRRIZIHCB-UHFFFAOYSA-N
MW465.54 g/mol
LogP2.85
Rot. Bonds8

About 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 4786576) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione
PubChem CID4786576
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC Name6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H23N5O4S/c1-3-12-27-20(24)19(21(30)26-22(27)31)18(29)13-33-23-25-16-6-4-5-7-17(16)28(23)14-8-10-15(32-2)11-9-14/h4-11H,3,12-13,24H2,1-2H3,(H,26,30,31)
InChIKeyOGUSPGRRIZIHCB-UHFFFAOYSA-N
XLogP2.85
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24567591
6-amino-5-[2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 18085605
6-amino-5-[2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 2448978
6-amino-5-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 4857132
6-amino-1-benzyl-5-[2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 2562825
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505834
6-amino-5-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 24571463
6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 25341475
6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 18227479
1-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 7224412
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 5220329
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 4881241

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione (CID 4786576) is 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is OGUSPGRRIZIHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-3-12-27-20(24)19(21(30)26-22(27)31)18(29)13-33-23-25-16-6-4-5-7-17(16)28(23)14-8-10-15(32-2)11-9-14/h4-11H,3,12-13,24H2,1-2H3,(H,26,30,31).
What are the key properties of 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 465.54 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 4786576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).