(2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide

C19H21N5O7 — CID 51361668

IUPAC(2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(CNC(=O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)ccc21
InChIInChI=1S/C19H21N5O7/c1-22-10-4-3-9(7-11(10)23(2)19(22)30)8-20-16(28)15-13(26)14(27)17(31-15)24-6-5-12(25)21-18(24)29/h3-7,13-15,17,26-27H,8H2,1-2H3,(H,20,28)(H,21,25,29)/t13-,14+,15-,17+/m0/s1
InChIKeyCFEDQWAZIIDMHV-QSJFSLAZSA-N
MW431.41 g/mol
LogP-2.34
Rot. Bonds4

About (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide

(2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide (PubChem CID 51361668) has the molecular formula C19H21N5O7 and a molecular weight of 431.41 g/mol. Its IUPAC name is (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
PubChem CID51361668
Molecular FormulaC19H21N5O7
Molecular Weight431.41 g/mol
Exact Mass431.14
IUPAC Name(2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(CNC(=O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)ccc21
InChIInChI=1S/C19H21N5O7/c1-22-10-4-3-9(7-11(10)23(2)19(22)30)8-20-16(28)15-13(26)14(27)17(31-15)24-6-5-12(25)21-18(24)29/h3-7,13-15,17,26-27H,8H2,1-2H3,(H,20,28)(H,21,25,29)/t13-,14+,15-,17+/m0/s1
InChIKeyCFEDQWAZIIDMHV-QSJFSLAZSA-N
XLogP-2.34
TPSA160.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide (CID 51361668) is (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide is Cn1c(=O)n(C)c2cc(CNC(=O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)ccc21.
What is the InChIKey of (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The InChIKey is CFEDQWAZIIDMHV-QSJFSLAZSA-N. The full InChI is InChI=1S/C19H21N5O7/c1-22-10-4-3-9(7-11(10)23(2)19(22)30)8-20-16(28)15-13(26)14(27)17(31-15)24-6-5-12(25)21-18(24)29/h3-7,13-15,17,26-27H,8H2,1-2H3,(H,20,28)(H,21,25,29)/t13-,14+,15-,17+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
(2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide has a molecular weight of 431.41 g/mol, XLogP of -2.34, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide is sourced from PubChem (CID 51361668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).