(3-bromophenyl)-(3-methylimidazol-4-yl)methanone

C11H9BrN2O — CID 35580673

IUPAC(3-bromophenyl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)c1cccc(Br)c1
InChIInChI=1S/C11H9BrN2O/c1-14-7-13-6-10(14)11(15)8-3-2-4-9(12)5-8/h2-7H,1H3
InChIKeyBMUKHPLQEUDNRC-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.41
Rot. Bonds2

About (3-bromophenyl)-(3-methylimidazol-4-yl)methanone

(3-bromophenyl)-(3-methylimidazol-4-yl)methanone (PubChem CID 35580673) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is (3-bromophenyl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(3-methylimidazol-4-yl)methanone
PubChem CID35580673
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name(3-bromophenyl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)c1cccc(Br)c1
InChIInChI=1S/C11H9BrN2O/c1-14-7-13-6-10(14)11(15)8-3-2-4-9(12)5-8/h2-7H,1H3
InChIKeyBMUKHPLQEUDNRC-UHFFFAOYSA-N
XLogP2.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(3-methylimidazol-4-yl)methanone
CID 82895758
(3-bromophenyl)-(4-methyl-1,2,4-triazol-3-yl)methanone
CID 130758278
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone
CID 71711772
3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510399
2-fluoro-5-(3-methylimidazole-4-carbonyl)benzonitrile
CID 71711704
3-bromo-N-(2-methyltriazol-4-yl)benzamide
CID 112535280
(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone
CID 82895564
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038
(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 82896310
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide
CID 103511119
(3-methylimidazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 82895472

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (3-bromophenyl)-(3-methylimidazol-4-yl)methanone (CID 35580673) is (3-bromophenyl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is BMUKHPLQEUDNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-14-7-13-6-10(14)11(15)8-3-2-4-9(12)5-8/h2-7H,1H3.
What are the key properties of (3-bromophenyl)-(3-methylimidazol-4-yl)methanone?
(3-bromophenyl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 265.11 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 35580673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).