(3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone

C12H11BrN2O — CID 748124

IUPAC(3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone
SMILESCc1cn(C(=O)c2cccc(Br)c2)c(C)n1
InChIInChI=1S/C12H11BrN2O/c1-8-7-15(9(2)14-8)12(16)10-4-3-5-11(13)6-10/h3-7H,1-2H3
InChIKeyGROGNLLOXGGDRJ-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.95
Rot. Bonds1

About (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone

(3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone (PubChem CID 748124) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone
PubChem CID748124
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name(3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone
SMILESCc1cn(C(=O)c2cccc(Br)c2)c(C)n1
InChIInChI=1S/C12H11BrN2O/c1-8-7-15(9(2)14-8)12(16)10-4-3-5-11(13)6-10/h3-7H,1-2H3
InChIKeyGROGNLLOXGGDRJ-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone (CID 748124) is (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone is Cc1cn(C(=O)c2cccc(Br)c2)c(C)n1.
What is the InChIKey of (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone?
The InChIKey is GROGNLLOXGGDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-7-15(9(2)14-8)12(16)10-4-3-5-11(13)6-10/h3-7H,1-2H3.
What are the key properties of (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone?
(3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone has a molecular weight of 279.14 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2,4-dimethylimidazol-1-yl)methanone is sourced from PubChem (CID 748124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).