methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate

C15H15BrN2O2 — CID 116882510

IUPACmethyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ncc(-c3cc(Br)ccc3C)[nH]2)CC1
InChIInChI=1S/C15H15BrN2O2/c1-9-3-4-10(16)7-11(9)12-8-17-13(18-12)15(5-6-15)14(19)20-2/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
InChIKeyGVIODBQHFLUGPS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.35
Rot. Bonds3

About methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate

methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate (PubChem CID 116882510) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
PubChem CID116882510
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Namemethyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ncc(-c3cc(Br)ccc3C)[nH]2)CC1
InChIInChI=1S/C15H15BrN2O2/c1-9-3-4-10(16)7-11(9)12-8-17-13(18-12)15(5-6-15)14(19)20-2/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
InChIKeyGVIODBQHFLUGPS-UHFFFAOYSA-N
XLogP3.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carboxylic acid
CID 116882398
methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
CID 116882513
methyl 2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoate
CID 116880482
methyl 1-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylate
CID 116964024
5-(5-bromo-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883755
3-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876977
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882782
methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 90298931
methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate
CID 170008442
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
CID 89448912
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882670
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879349

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate (CID 116882510) is methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate is COC(=O)C1(c2ncc(-c3cc(Br)ccc3C)[nH]2)CC1.
What is the InChIKey of methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate?
The InChIKey is GVIODBQHFLUGPS-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(5-6-15)14(19)20-2/h3-4,7-8H,5-6H2,1-2H3,(H,17,18).
What are the key properties of methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate?
methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate has a molecular weight of 335.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116882510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).