2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid

C13H15N3O2 — CID 116881459

IUPAC2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
SMILESCCc1ccc(-c2cnc(C(N)C(=O)O)[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-2-8-3-5-9(6-4-8)10-7-15-12(16-10)11(14)13(17)18/h3-7,11H,2,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyWZHHVWVLEHXFTJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.72
Rot. Bonds4

About 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid

2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid (PubChem CID 116881459) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
PubChem CID116881459
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
SMILESCCc1ccc(-c2cnc(C(N)C(=O)O)[nH]2)cc1
InChIInChI=1S/C13H15N3O2/c1-2-8-3-5-9(6-4-8)10-7-15-12(16-10)11(14)13(17)18/h3-7,11H,2,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyWZHHVWVLEHXFTJ-UHFFFAOYSA-N
XLogP1.72
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881749
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544597
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882765
(4-ethylphenyl)-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942827
2-amino-2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881506
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116878737
2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881469
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(4-ethylphenyl)phenyl]acetamide
CID 177349338
5-(4-ethylphenyl)-1H-imidazole-2-carbonitrile
CID 14455646

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid (CID 116881459) is 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid is CCc1ccc(-c2cnc(C(N)C(=O)O)[nH]2)cc1.
What is the InChIKey of 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is WZHHVWVLEHXFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-8-3-5-9(6-4-8)10-7-15-12(16-10)11(14)13(17)18/h3-7,11H,2,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid?
2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 116881459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).