1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid

C16H15N3O3 — CID 162644034

IUPAC1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cnc(C(=O)O)c2)ccc1OC1CCCC1
InChIInChI=1S/C16H15N3O3/c17-8-11-7-12(19-9-14(16(20)21)18-10-19)5-6-15(11)22-13-3-1-2-4-13/h5-7,9-10,13H,1-4H2,(H,20,21)
InChIKeyLNHRKQJLQQDFCG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.76
Rot. Bonds4

About 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid

1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid (PubChem CID 162644034) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid
PubChem CID162644034
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid
SMILESN#Cc1cc(-n2cnc(C(=O)O)c2)ccc1OC1CCCC1
InChIInChI=1S/C16H15N3O3/c17-8-11-7-12(19-9-14(16(20)21)18-10-19)5-6-15(11)22-13-3-1-2-4-13/h5-7,9-10,13H,1-4H2,(H,20,21)
InChIKeyLNHRKQJLQQDFCG-UHFFFAOYSA-N
XLogP2.76
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid (CID 162644034) is 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid is N#Cc1cc(-n2cnc(C(=O)O)c2)ccc1OC1CCCC1.
What is the InChIKey of 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid?
The InChIKey is LNHRKQJLQQDFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-8-11-7-12(19-9-14(16(20)21)18-10-19)5-6-15(11)22-13-3-1-2-4-13/h5-7,9-10,13H,1-4H2,(H,20,21).
What are the key properties of 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid?
1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-cyclopentyloxyphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 162644034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).