6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione

C24H23N5O3S — CID 25341475

IUPAC6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C24H23N5O3S/c25-21-20(22(31)27-23(32)29(21)16-10-11-16)19(30)14-33-24-26-17-8-4-5-9-18(17)28(24)13-12-15-6-2-1-3-7-15/h1-9,16H,10-14,25H2,(H,27,31,32)
InChIKeyOOKYIYBRGLYFMR-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.02
Rot. Bonds8

About 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 25341475) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID25341475
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESNc1c(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C24H23N5O3S/c25-21-20(22(31)27-23(32)29(21)16-10-11-16)19(30)14-33-24-26-17-8-4-5-9-18(17)28(24)13-12-15-6-2-1-3-7-15/h1-9,16H,10-14,25H2,(H,27,31,32)
InChIKeyOOKYIYBRGLYFMR-UHFFFAOYSA-N
XLogP3.02
TPSA115.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (CID 25341475) is 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is Nc1c(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is OOKYIYBRGLYFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c25-21-20(22(31)27-23(32)29(21)16-10-11-16)19(30)14-33-24-26-17-8-4-5-9-18(17)28(24)13-12-15-6-2-1-3-7-15/h1-9,16H,10-14,25H2,(H,27,31,32).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 461.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 25341475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).