2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid

C8H10N2O2 — CID 116878956

IUPAC2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1cnc(C2CC2C(=O)O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-4-3-9-7(10-4)5-2-6(5)8(11)12/h3,5-6H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyIAVVGOGSSUOONS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.91
Rot. Bonds2

About 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid

2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 116878956) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID116878956
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1cnc(C2CC2C(=O)O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-4-3-9-7(10-4)5-2-6(5)8(11)12/h3,5-6H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyIAVVGOGSSUOONS-UHFFFAOYSA-N
XLogP0.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878954
2-(5-phenyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878958
trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377670
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 79795345
2-[5-(3-phenylpropyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylic acid
CID 123810509
4-methyl-2-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 114392952
2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylic acid
CID 81137693
2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130580399
2-(2-methoxy-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130590503
ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
CID 165405571
5-methyl-2-(10-methyl-2-bicyclo[7.5.0]tetradecanyl)-1H-imidazole
CID 123414230
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid (CID 116878956) is 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid is Cc1cnc(C2CC2C(=O)O)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is IAVVGOGSSUOONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-3-9-7(10-4)5-2-6(5)8(11)12/h3,5-6H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid?
2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116878956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).