N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

C14H13N5O3 — CID 146022159

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H13N5O3/c20-12-5-6-19(14(22)18-12)8-13(21)15-7-11-16-9-3-1-2-4-10(9)17-11/h1-6H,7-8H2,(H,15,21)(H,16,17)(H,18,20,22)
InChIKeyAYXLJIYFCUEDRR-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.27
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 146022159) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID146022159
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H13N5O3/c20-12-5-6-19(14(22)18-12)8-13(21)15-7-11-16-9-3-1-2-4-10(9)17-11/h1-6H,7-8H2,(H,15,21)(H,16,17)(H,18,20,22)
InChIKeyAYXLJIYFCUEDRR-UHFFFAOYSA-N
XLogP-0.27
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 146022159) is N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is AYXLJIYFCUEDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c20-12-5-6-19(14(22)18-12)8-13(21)15-7-11-16-9-3-1-2-4-10(9)17-11/h1-6H,7-8H2,(H,15,21)(H,16,17)(H,18,20,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 299.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 146022159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).