4-[2-(3-methylbutyl)-1H-imidazol-1-yl]benzoic acid

HCID 20159972
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Basic information

CAS
101184-12-7
Standard SMILES
CC(C)CCc1nccn1-c1ccc(C(=O)O)cc1
InChIKey
CHIPWXNNTQHEIJ-UHFFFAOYSA-N
Molecular formula
C15H18N2O2
Average molar mass
258.32 g/mol
Monoisotopic mass
258.13682782

Names & identifiers

Preferred name
4-[2-(3-methylbutyl)-1H-imidazol-1-yl]benzoic acid
IUPAC
4-[2-(3-methylbutyl)imidazol-1-yl]benzoic acid

Names & synonyms

4-[2-(3-methylbutyl)-1H-imidazol-1-yl]benzoic acid101184-12-7SCHEMBL7342223CHIPWXNNTQHEIJ-UHFFFAOYSA-NDTXSID501227610

Database identifiers

CAS
101184-12-7
PubChem CID
20159972
DTXSID
DTXSID501227610

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
55.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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