(4-bromophenyl)-(2-methylimidazol-1-yl)methanone

C11H9BrN2O — CID 110464875

IUPAC(4-bromophenyl)-(2-methylimidazol-1-yl)methanone
SMILESCc1nccn1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O/c1-8-13-6-7-14(8)11(15)9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKeyLKMBGKXLHXSKGP-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.64
Rot. Bonds1

About (4-bromophenyl)-(2-methylimidazol-1-yl)methanone

(4-bromophenyl)-(2-methylimidazol-1-yl)methanone (PubChem CID 110464875) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is (4-bromophenyl)-(2-methylimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2-methylimidazol-1-yl)methanone
PubChem CID110464875
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name(4-bromophenyl)-(2-methylimidazol-1-yl)methanone
SMILESCc1nccn1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O/c1-8-13-6-7-14(8)11(15)9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKeyLKMBGKXLHXSKGP-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone
CID 110465192
2-(2-methylimidazole-1-carbonyl)terephthalic acid
CID 825495
(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 110462638
(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
CID 110462577
2-hydroxy-1-(2-methylimidazol-1-yl)ethanone
CID 67684547
(8-fluoroquinolin-2-yl)-(2-methylimidazol-1-yl)methanone
CID 110464500
2-methyl-1-(2-methylimidazol-1-yl)prop-2-en-1-one
CID 19895249
1-(4-bromophenyl)-2-(2-ethylimidazol-1-yl)ethanone
CID 61405257
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
4-bromobenzoic acid;copper
CID 67824318
(4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3848557
(2R)-1-(4-bromophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 40529347

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-methylimidazol-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2-methylimidazol-1-yl)methanone (CID 110464875) is (4-bromophenyl)-(2-methylimidazol-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2-methylimidazol-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2-methylimidazol-1-yl)methanone is Cc1nccn1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2-methylimidazol-1-yl)methanone?
The InChIKey is LKMBGKXLHXSKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-8-13-6-7-14(8)11(15)9-2-4-10(12)5-3-9/h2-7H,1H3.
What are the key properties of (4-bromophenyl)-(2-methylimidazol-1-yl)methanone?
(4-bromophenyl)-(2-methylimidazol-1-yl)methanone has a molecular weight of 265.11 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-methylimidazol-1-yl)methanone is sourced from PubChem (CID 110464875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).