(2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H20N2O4 — CID 777296

IUPAC(2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN=C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-23-15-11-14(12-16(24-2)17(15)25-3)19(22)21-10-9-20-18(21)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyACJVNSBPPNKAIB-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds5

About (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 777296) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID777296
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN=C2c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-23-15-11-14(12-16(24-2)17(15)25-3)19(22)21-10-9-20-18(21)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyACJVNSBPPNKAIB-UHFFFAOYSA-N
XLogP2.62
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 777296) is (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN=C2c2ccccc2)cc(OC)c1OC.
What is the InChIKey of (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ACJVNSBPPNKAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-15-11-14(12-16(24-2)17(15)25-3)19(22)21-10-9-20-18(21)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 340.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 777296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).