(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone

C16H10Cl2N2O — CID 21497391

IUPAC(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1-n1ccnc1
InChIInChI=1S/C16H10Cl2N2O/c17-12-3-1-11(2-4-12)16(21)14-9-13(18)5-6-15(14)20-8-7-19-10-20/h1-10H
InChIKeyBSNOZFQHWKCAJO-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.41
Rot. Bonds3

About (5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone

(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone (PubChem CID 21497391) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is (5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone
PubChem CID21497391
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1-n1ccnc1
InChIInChI=1S/C16H10Cl2N2O/c17-12-3-1-11(2-4-12)16(21)14-9-13(18)5-6-15(14)20-8-7-19-10-20/h1-10H
InChIKeyBSNOZFQHWKCAJO-UHFFFAOYSA-N
XLogP4.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.41
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)-(4-chlorophenyl)methanone?
The IUPAC name of (5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone (CID 21497391) is (5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1-n1ccnc1.
What is the InChIKey of (5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone?
The InChIKey is BSNOZFQHWKCAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-12-3-1-11(2-4-12)16(21)14-9-13(18)5-6-15(14)20-8-7-19-10-20/h1-10H.
What are the key properties of (5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone?
(5-chloro-2-imidazol-1-ylphenyl)-(4-chlorophenyl)methanone has a molecular weight of 317.18 g/mol, XLogP of 4.41, 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)-(4-chlorophenyl)methanone is sourced from PubChem (CID 21497391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).