1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid

C15H15BrN2O2 — CID 116882398

IUPAC1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(Br)cc1-c1cnc(C2(C(=O)O)CCC2)[nH]1
InChIInChI=1S/C15H15BrN2O2/c1-9-3-4-10(16)7-11(9)12-8-17-13(18-12)15(14(19)20)5-2-6-15/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyWIQBQOLOKXUTHP-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.65
Rot. Bonds3

About 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid

1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid (PubChem CID 116882398) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
PubChem CID116882398
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(Br)cc1-c1cnc(C2(C(=O)O)CCC2)[nH]1
InChIInChI=1S/C15H15BrN2O2/c1-9-3-4-10(16)7-11(9)12-8-17-13(18-12)15(14(19)20)5-2-6-15/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyWIQBQOLOKXUTHP-UHFFFAOYSA-N
XLogP3.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetic acid hydrochloride
CID 170916758
ethyl 2-[5-(4-bromo-3-fluorophenyl)-1H-imidazol-2-yl]acetate
CID 67575786
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4,4-difluorocyclopentane-1-carboxylic acid
CID 89647951
ethyl 2-[5-(2-bromo-4-fluorophenyl)-1H-imidazol-2-yl]pent-4-enoate
CID 129080469
(5S)-5-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-5-methyloct-7-en-2-one
CID 153399788
propyl 2-[5-(2-bromo-4-fluorophenyl)-1H-imidazol-2-yl]pent-4-enoate
CID 166955361
tert-butyl (3S)-3-[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-2-iminopentanoate
CID 174650592
2-[4-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid
CID 62690174
3-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]propanoic acid
CID 84218339
3-[5-(5-Bromo-2-fluorophenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84607476
3-[4-(5-Bromo-2-fluorophenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84607482
5-(5-bromo-2-fluorophenyl)-1H-imidazole-2-carboxylic acid
CID 116878550

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid (CID 116882398) is 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid is Cc1ccc(Br)cc1-c1cnc(C2(C(=O)O)CCC2)[nH]1.
What is the InChIKey of 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid?
The InChIKey is WIQBQOLOKXUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-3-4-10(16)7-11(9)12-8-17-13(18-12)15(14(19)20)5-2-6-15/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid?
1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116882398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).