(2-bromophenyl) 1H-imidazole-2-carboxylate

C10H7BrN2O2 — CID 141157563

IUPAC(2-bromophenyl) 1H-imidazole-2-carboxylate
SMILESO=C(Oc1ccccc1Br)c1ncc[nH]1
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-2-4-8(7)15-10(14)9-12-5-6-13-9/h1-6H,(H,12,13)
InChIKeySBYSYBONTJPDCV-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.39
Rot. Bonds2

About (2-bromophenyl) 1H-imidazole-2-carboxylate

(2-bromophenyl) 1H-imidazole-2-carboxylate (PubChem CID 141157563) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is (2-bromophenyl) 1H-imidazole-2-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl) 1H-imidazole-2-carboxylate
PubChem CID141157563
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name(2-bromophenyl) 1H-imidazole-2-carboxylate
SMILESO=C(Oc1ccccc1Br)c1ncc[nH]1
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-2-4-8(7)15-10(14)9-12-5-6-13-9/h1-6H,(H,12,13)
InChIKeySBYSYBONTJPDCV-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl) pyridine-2-carboxylate
CID 158339017
(2-ethoxyphenyl)-(1H-imidazol-2-yl)methanone
CID 112731515
(2-bromophenyl) 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
CID 43854679
2-phenylpropan-2-yl 1H-imidazole-2-carboperoxoate
CID 139777627
(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate
CID 117215005
ethane;ethyl 1H-imidazole-2-carboxylate
CID 143717895
(2-bromophenyl) 3-methylbutanoate
CID 121271794
(2-bromophenyl) 1,3-benzothiazole-6-carboxylate
CID 18083330
N-[1-(2-methoxyphenyl)cyclopropyl]-1H-imidazole-2-carboxamide
CID 110466575
(2-bromophenyl) 1-benzofuran-2-carboxylate
CID 17391637
(2-bromophenyl) 4-nitrobenzoate
CID 7733538
2-(1H-imidazole-2-carbonyl)benzamide
CID 607520

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl) 1H-imidazole-2-carboxylate?
The IUPAC name of (2-bromophenyl) 1H-imidazole-2-carboxylate (CID 141157563) is (2-bromophenyl) 1H-imidazole-2-carboxylate.
What is the SMILES notation for (2-bromophenyl) 1H-imidazole-2-carboxylate?
The canonical SMILES for (2-bromophenyl) 1H-imidazole-2-carboxylate is O=C(Oc1ccccc1Br)c1ncc[nH]1.
What is the InChIKey of (2-bromophenyl) 1H-imidazole-2-carboxylate?
The InChIKey is SBYSYBONTJPDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-3-1-2-4-8(7)15-10(14)9-12-5-6-13-9/h1-6H,(H,12,13).
What are the key properties of (2-bromophenyl) 1H-imidazole-2-carboxylate?
(2-bromophenyl) 1H-imidazole-2-carboxylate has a molecular weight of 267.08 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl) 1H-imidazole-2-carboxylate is sourced from PubChem (CID 141157563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).