5-benzyl-1H-imidazole-4-carboxamide

C11H11N3O — CID 102170188

IUPAC5-benzyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc[nH]c1Cc1ccccc1
InChIInChI=1S/C11H11N3O/c12-11(15)10-9(13-7-14-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,15)(H,13,14)
InChIKeyOMBFJGBJFMSAAO-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.10
Rot. Bonds3

About 5-benzyl-1H-imidazole-4-carboxamide

5-benzyl-1H-imidazole-4-carboxamide (PubChem CID 102170188) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-benzyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1H-imidazole-4-carboxamide
PubChem CID102170188
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-benzyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc[nH]c1Cc1ccccc1
InChIInChI=1S/C11H11N3O/c12-11(15)10-9(13-7-14-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,15)(H,13,14)
InChIKeyOMBFJGBJFMSAAO-UHFFFAOYSA-N
XLogP1.10
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-benzyl-1H-imidazole-4-carboxamide (CID 102170188) is 5-benzyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1H-imidazole-4-carboxamide is NC(=O)c1nc[nH]c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1H-imidazole-4-carboxamide?
The InChIKey is OMBFJGBJFMSAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(15)10-9(13-7-14-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,15)(H,13,14).
What are the key properties of 5-benzyl-1H-imidazole-4-carboxamide?
5-benzyl-1H-imidazole-4-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 102170188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).