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

C22H24N2O4 — CID 71716797

IUPAC(4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCn1cc(-c2ccccc2)nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H24N2O4/c1-5-11-24-14-17(15-9-7-6-8-10-15)23-22(24)20(25)16-12-18(26-2)21(28-4)19(13-16)27-3/h6-10,12-14H,5,11H2,1-4H3
InChIKeyGQCWPPDMTWULNQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.22
Rot. Bonds8

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

(4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71716797) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71716797
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCn1cc(-c2ccccc2)nc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H24N2O4/c1-5-11-24-14-17(15-9-7-6-8-10-15)23-22(24)20(25)16-12-18(26-2)21(28-4)19(13-16)27-3/h6-10,12-14H,5,11H2,1-4H3
InChIKeyGQCWPPDMTWULNQ-UHFFFAOYSA-N
XLogP4.22
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71716797) is (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is CCCn1cc(-c2ccccc2)nc1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is GQCWPPDMTWULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-5-11-24-14-17(15-9-7-6-8-10-15)23-22(24)20(25)16-12-18(26-2)21(28-4)19(13-16)27-3/h6-10,12-14H,5,11H2,1-4H3.
What are the key properties of (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 380.44 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1-propylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71716797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).