5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid

C7H11N3O2 — CID 14270016

IUPAC5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid
SMILESCN(C)Cc1[nH]cnc1C(=O)O
InChIInChI=1S/C7H11N3O2/c1-10(2)3-5-6(7(11)12)9-4-8-5/h4H,3H2,1-2H3,(H,8,9)(H,11,12)
InChIKeyKVJDVPUQVNJNPV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.17
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid

5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid (PubChem CID 14270016) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid
PubChem CID14270016
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid
SMILESCN(C)Cc1[nH]cnc1C(=O)O
InChIInChI=1S/C7H11N3O2/c1-10(2)3-5-6(7(11)12)9-4-8-5/h4H,3H2,1-2H3,(H,8,9)(H,11,12)
InChIKeyKVJDVPUQVNJNPV-UHFFFAOYSA-N
XLogP0.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid (CID 14270016) is 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid is CN(C)Cc1[nH]cnc1C(=O)O.
What is the InChIKey of 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid?
The InChIKey is KVJDVPUQVNJNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10(2)3-5-6(7(11)12)9-4-8-5/h4H,3H2,1-2H3,(H,8,9)(H,11,12).
What are the key properties of 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid?
5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 14270016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).