1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide

C23H23N7O5 — CID 170645913

IUPAC1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide
SMILESCCOc1c(C(=O)Nc2cnoc2)nc(-c2nc3cc(C(N)=O)ccc3n2C2CCC2)n(C)c1=O
InChIInChI=1S/C23H23N7O5/c1-3-34-18-17(22(32)26-13-10-25-35-11-13)28-20(29(2)23(18)33)21-27-15-9-12(19(24)31)7-8-16(15)30(21)14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H2,24,31)(H,26,32)
InChIKeyNPILAEYHIBGZFR-UHFFFAOYSA-N
MW477.48 g/mol
LogP2.26
Rot. Bonds7

About 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide

1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide (PubChem CID 170645913) has the molecular formula C23H23N7O5 and a molecular weight of 477.48 g/mol. Its IUPAC name is 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide
PubChem CID170645913
Molecular FormulaC23H23N7O5
Molecular Weight477.48 g/mol
Exact Mass477.18
IUPAC Name1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide
SMILESCCOc1c(C(=O)Nc2cnoc2)nc(-c2nc3cc(C(N)=O)ccc3n2C2CCC2)n(C)c1=O
InChIInChI=1S/C23H23N7O5/c1-3-34-18-17(22(32)26-13-10-25-35-11-13)28-20(29(2)23(18)33)21-27-15-9-12(19(24)31)7-8-16(15)30(21)14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H2,24,31)(H,26,32)
InChIKeyNPILAEYHIBGZFR-UHFFFAOYSA-N
XLogP2.26
TPSA160.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide (CID 170645913) is 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide is CCOc1c(C(=O)Nc2cnoc2)nc(-c2nc3cc(C(N)=O)ccc3n2C2CCC2)n(C)c1=O.
What is the InChIKey of 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide?
The InChIKey is NPILAEYHIBGZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O5/c1-3-34-18-17(22(32)26-13-10-25-35-11-13)28-20(29(2)23(18)33)21-27-15-9-12(19(24)31)7-8-16(15)30(21)14-5-4-6-14/h7-11,14H,3-6H2,1-2H3,(H2,24,31)(H,26,32).
What are the key properties of 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide?
1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide has a molecular weight of 477.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[5-ethoxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 170645913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).