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

C16H11ClN2O — CID 21497416

IUPAC(4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1-n1ccnc1
InChIInChI=1S/C16H11ClN2O/c17-13-6-7-14(15(10-13)19-9-8-18-11-19)16(20)12-4-2-1-3-5-12/h1-11H
InChIKeyVHVFCDKTZVYYLO-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.76
Rot. Bonds3

About (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone

(4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone (PubChem CID 21497416) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
PubChem CID21497416
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name(4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1-n1ccnc1
InChIInChI=1S/C16H11ClN2O/c17-13-6-7-14(15(10-13)19-9-8-18-11-19)16(20)12-4-2-1-3-5-12/h1-11H
InChIKeyVHVFCDKTZVYYLO-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 (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone?
The IUPAC name of (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone (CID 21497416) is (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone.
What is the SMILES notation for (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone?
The canonical SMILES for (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(Cl)cc1-n1ccnc1.
What is the InChIKey of (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone?
The InChIKey is VHVFCDKTZVYYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-6-7-14(15(10-13)19-9-8-18-11-19)16(20)12-4-2-1-3-5-12/h1-11H.
What are the key properties of (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone?
(4-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 (4-chloro-2-imidazol-1-ylphenyl)-phenylmethanone is sourced from PubChem (CID 21497416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).