(5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone

C16H11ClN2O — CID 14357877

IUPAC(5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1-n1ccnc1
InChIInChI=1S/C16H11ClN2O/c17-13-6-7-15(19-9-8-18-11-19)14(10-13)16(20)12-4-2-1-3-5-12/h1-11H
InChIKeyGFEBYYXDXMODAG-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.76
Rot. Bonds3

About (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone

(5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone (PubChem CID 14357877) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
PubChem CID14357877
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name(5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1-n1ccnc1
InChIInChI=1S/C16H11ClN2O/c17-13-6-7-15(19-9-8-18-11-19)14(10-13)16(20)12-4-2-1-3-5-12/h1-11H
InChIKeyGFEBYYXDXMODAG-UHFFFAOYSA-N
XLogP3.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone?
The IUPAC name of (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone (CID 14357877) is (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone.
What is the SMILES notation for (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone?
The canonical SMILES for (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone is O=C(c1ccccc1)c1cc(Cl)ccc1-n1ccnc1.
What is the InChIKey of (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone?
The InChIKey is GFEBYYXDXMODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-6-7-15(19-9-8-18-11-19)14(10-13)16(20)12-4-2-1-3-5-12/h1-11H.
What are the key properties of (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone?
(5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone has a molecular weight of 282.73 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-imidazol-1-ylphenyl)-phenylmethanone is sourced from PubChem (CID 14357877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).