(5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone

C16H10BrClN2O — CID 21497412

IUPAC(5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)c1cc(Br)ccc1-n1ccnc1
InChIInChI=1S/C16H10BrClN2O/c17-11-5-6-15(20-8-7-19-10-20)13(9-11)16(21)12-3-1-2-4-14(12)18/h1-10H
InChIKeyTXEOFLUVGBQJHF-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.52
Rot. Bonds3

About (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone

(5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone (PubChem CID 21497412) has the molecular formula C16H10BrClN2O and a molecular weight of 361.63 g/mol. Its IUPAC name is (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone
PubChem CID21497412
Molecular FormulaC16H10BrClN2O
Molecular Weight361.63 g/mol
Exact Mass359.97
IUPAC Name(5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)c1cc(Br)ccc1-n1ccnc1
InChIInChI=1S/C16H10BrClN2O/c17-11-5-6-15(20-8-7-19-10-20)13(9-11)16(21)12-3-1-2-4-14(12)18/h1-10H
InChIKeyTXEOFLUVGBQJHF-UHFFFAOYSA-N
XLogP4.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone?
The IUPAC name of (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone (CID 21497412) is (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)c1cc(Br)ccc1-n1ccnc1.
What is the InChIKey of (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone?
The InChIKey is TXEOFLUVGBQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O/c17-11-5-6-15(20-8-7-19-10-20)13(9-11)16(21)12-3-1-2-4-14(12)18/h1-10H.
What are the key properties of (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone?
(5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone has a molecular weight of 361.63 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-imidazol-1-ylphenyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 21497412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).