(2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone

C12H11BrN2O — CID 110465192

IUPAC(2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone
SMILESCc1ccc(Br)c(C(=O)n2ccnc2C)c1
InChIInChI=1S/C12H11BrN2O/c1-8-3-4-11(13)10(7-8)12(16)15-6-5-14-9(15)2/h3-7H,1-2H3
InChIKeyVEIFJDNQQMYAGI-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.95
Rot. Bonds1

About (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone

(2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone (PubChem CID 110465192) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone
PubChem CID110465192
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name(2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone
SMILESCc1ccc(Br)c(C(=O)n2ccnc2C)c1
InChIInChI=1S/C12H11BrN2O/c1-8-3-4-11(13)10(7-8)12(16)15-6-5-14-9(15)2/h3-7H,1-2H3
InChIKeyVEIFJDNQQMYAGI-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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Related Compounds

(4-bromophenyl)-(2-methylimidazol-1-yl)methanone
CID 110464875
2-(2-methylimidazole-1-carbonyl)terephthalic acid
CID 825495
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
(2-bromo-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81112363
(2-bromo-5-methylphenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 81117829
methyl 2-bromo-5-methylbenzoate
CID 15110996
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
(2-bromo-5-methylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 80974460
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one
CID 22008821

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone (CID 110465192) is (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone is Cc1ccc(Br)c(C(=O)n2ccnc2C)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone?
The InChIKey is VEIFJDNQQMYAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-3-4-11(13)10(7-8)12(16)15-6-5-14-9(15)2/h3-7H,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone?
(2-bromo-5-methylphenyl)-(2-methylimidazol-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 (2-bromo-5-methylphenyl)-(2-methylimidazol-1-yl)methanone is sourced from PubChem (CID 110465192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).