(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone

C11H7BrClFN2O — CID 106761879

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H7BrClFN2O/c1-16-5-4-15-11(16)10(17)6-2-3-7(12)8(13)9(6)14/h2-5H,1H3
InChIKeyIMBZSWQVMKBSMI-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.21
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone

(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 106761879) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone
PubChem CID106761879
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H7BrClFN2O/c1-16-5-4-15-11(16)10(17)6-2-3-7(12)8(13)9(6)14/h2-5H,1H3
InChIKeyIMBZSWQVMKBSMI-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 106761788
(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 106863437
(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
CID 82772383
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 106761787
(4-bromo-3-chloro-2-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone
CID 106761878
(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 106761864
(4-bromo-3-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 106764329
(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 114020545
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
(4-bromo-3-chloro-2-fluorophenyl)-(5-bromo-2-fluorophenyl)methanone
CID 106761942

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone (CID 106761879) is (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is IMBZSWQVMKBSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c1-16-5-4-15-11(16)10(17)6-2-3-7(12)8(13)9(6)14/h2-5H,1H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone?
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 317.55 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 106761879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).