(4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone

C16H13ClN2O — CID 879497

IUPAC(4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN=C1c1ccccc1
InChIInChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyNZWXOWUIMBDPNR-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.24
Rot. Bonds2

About (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone

(4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 879497) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID879497
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name(4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN=C1c1ccccc1
InChIInChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyNZWXOWUIMBDPNR-UHFFFAOYSA-N
XLogP3.24
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone (CID 879497) is (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCN=C1c1ccccc1.
What is the InChIKey of (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is NZWXOWUIMBDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
(4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 284.75 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 879497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).