5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid

C9H12N2O2 — CID 82378009

IUPAC5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(CC2CC2)[nH]1
InChIInChI=1S/C9H12N2O2/c1-5-10-7(4-6-2-3-6)8(11-5)9(12)13/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyIWCZHUVBRSJTSL-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.37
Rot. Bonds3

About 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid

5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid (PubChem CID 82378009) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid
PubChem CID82378009
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(CC2CC2)[nH]1
InChIInChI=1S/C9H12N2O2/c1-5-10-7(4-6-2-3-6)8(11-5)9(12)13/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyIWCZHUVBRSJTSL-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid (CID 82378009) is 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid is Cc1nc(C(=O)O)c(CC2CC2)[nH]1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid?
The InChIKey is IWCZHUVBRSJTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-10-7(4-6-2-3-6)8(11-5)9(12)13/h6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid?
5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-methyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82378009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).