1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid

C10H14N2O2 — CID 83847442

IUPAC1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid
SMILESCCc1c(C)nc(C(=O)O)n1C1CC1
InChIInChI=1S/C10H14N2O2/c1-3-8-6(2)11-9(10(13)14)12(8)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyQWJDNIYLTLVRNS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.79
Rot. Bonds3

About 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid

1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid (PubChem CID 83847442) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid
PubChem CID83847442
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid
SMILESCCc1c(C)nc(C(=O)O)n1C1CC1
InChIInChI=1S/C10H14N2O2/c1-3-8-6(2)11-9(10(13)14)12(8)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,14)
InChIKeyQWJDNIYLTLVRNS-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1,4-dimethylimidazole-2-carboxylic acid
CID 83846042
7-(aminomethyl)-1-cyclopropylbenzimidazole-2-carboxylic acid
CID 84794292
1-cyclopropyl-5-ethyl-2-methylpyrrole-3-carboxylic acid
CID 83531011
1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3859314
4-cyclopropyl-5-methylsulfanyl-1,2,4-triazole-3-carboxylic acid
CID 83387246
1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
CID 83858260
2-ethyl-3-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82769955
2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
CID 104966802
1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid
CID 116851846
3-cyclopropyl-5-ethyltriazole-4-carboxylic acid
CID 105439339
1-cyclopropyl-2-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
CID 142633412
1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430847

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid (CID 83847442) is 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid is CCc1c(C)nc(C(=O)O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid?
The InChIKey is QWJDNIYLTLVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-8-6(2)11-9(10(13)14)12(8)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid?
1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 83847442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).