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

C17H16N2O2 — CID 802376

IUPAC(2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCN=C1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-15-10-6-5-9-14(15)17(20)19-12-11-18-16(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyXMTVBPSVWJJBHH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds3

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

(2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 802376) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID802376
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1ccccc1C(=O)N1CCN=C1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-21-15-10-6-5-9-14(15)17(20)19-12-11-18-16(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyXMTVBPSVWJJBHH-UHFFFAOYSA-N
XLogP2.60
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone (CID 802376) is (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone is COc1ccccc1C(=O)N1CCN=C1c1ccccc1.
What is the InChIKey of (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is XMTVBPSVWJJBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-15-10-6-5-9-14(15)17(20)19-12-11-18-16(19)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
(2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 280.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 802376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).