5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid

C9H14N2O2 — CID 19066282

IUPAC5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(CC)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-5-7-10-6(4-2)8(11-7)9(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyCCFWIKIZGAOBQT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds4

About 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid

5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid (PubChem CID 19066282) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid
PubChem CID19066282
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)c(CC)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-5-7-10-6(4-2)8(11-7)9(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyCCFWIKIZGAOBQT-UHFFFAOYSA-N
XLogP1.62
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid (CID 19066282) is 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid is CCCc1nc(C(=O)O)c(CC)[nH]1.
What is the InChIKey of 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid?
The InChIKey is CCFWIKIZGAOBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-7-10-6(4-2)8(11-7)9(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid?
5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 19066282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).