5-amino-1-N-benzylimidazole-1,4-dicarboxamide

C12H13N5O2 — CID 10999777

IUPAC5-amino-1-N-benzylimidazole-1,4-dicarboxamide
SMILESNC(=O)c1ncn(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C12H13N5O2/c13-10-9(11(14)18)16-7-17(10)12(19)15-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H2,14,18)(H,15,19)
InChIKeySOGSLSUEPLGVST-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.32
Rot. Bonds3

About 5-amino-1-N-benzylimidazole-1,4-dicarboxamide

5-amino-1-N-benzylimidazole-1,4-dicarboxamide (PubChem CID 10999777) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-amino-1-N-benzylimidazole-1,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-1-N-benzylimidazole-1,4-dicarboxamide
PubChem CID10999777
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-amino-1-N-benzylimidazole-1,4-dicarboxamide
SMILESNC(=O)c1ncn(C(=O)NCc2ccccc2)c1N
InChIInChI=1S/C12H13N5O2/c13-10-9(11(14)18)16-7-17(10)12(19)15-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H2,14,18)(H,15,19)
InChIKeySOGSLSUEPLGVST-UHFFFAOYSA-N
XLogP0.32
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-N-benzylimidazole-1,4-dicarboxamide?
The IUPAC name of 5-amino-1-N-benzylimidazole-1,4-dicarboxamide (CID 10999777) is 5-amino-1-N-benzylimidazole-1,4-dicarboxamide.
What is the SMILES notation for 5-amino-1-N-benzylimidazole-1,4-dicarboxamide?
The canonical SMILES for 5-amino-1-N-benzylimidazole-1,4-dicarboxamide is NC(=O)c1ncn(C(=O)NCc2ccccc2)c1N.
What is the InChIKey of 5-amino-1-N-benzylimidazole-1,4-dicarboxamide?
The InChIKey is SOGSLSUEPLGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-10-9(11(14)18)16-7-17(10)12(19)15-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H2,14,18)(H,15,19).
What are the key properties of 5-amino-1-N-benzylimidazole-1,4-dicarboxamide?
5-amino-1-N-benzylimidazole-1,4-dicarboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-N-benzylimidazole-1,4-dicarboxamide is sourced from PubChem (CID 10999777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).