4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid

C10H14N2O2 — CID 67476921

IUPAC4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid
SMILESC=C(C)c1nc(CCC)[nH]c1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-4-5-7-11-8(6(2)3)9(12-7)10(13)14/h2,4-5H2,1,3H3,(H,11,12)(H,13,14)
InChIKeyKMZWTAONHMFAAX-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.09
Rot. Bonds4

About 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid

4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid (PubChem CID 67476921) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid
PubChem CID67476921
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid
SMILESC=C(C)c1nc(CCC)[nH]c1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-4-5-7-11-8(6(2)3)9(12-7)10(13)14/h2,4-5H2,1,3H3,(H,11,12)(H,13,14)
InChIKeyKMZWTAONHMFAAX-UHFFFAOYSA-N
XLogP2.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid (CID 67476921) is 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid is C=C(C)c1nc(CCC)[nH]c1C(=O)O.
What is the InChIKey of 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid?
The InChIKey is KMZWTAONHMFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-5-7-11-8(6(2)3)9(12-7)10(13)14/h2,4-5H2,1,3H3,(H,11,12)(H,13,14).
What are the key properties of 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid?
4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-2-propyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 67476921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).