[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H23N3O4 — CID 71625646

IUPAC[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ncc(-c3ccc(N(C)C)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-24(2)15-8-6-13(7-9-15)16-12-22-21(23-16)19(25)14-10-17(26-3)20(28-5)18(11-14)27-4/h6-12H,1-5H3,(H,22,23)
InChIKeyKQXUMYSVSBREPO-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.40
Rot. Bonds7

About [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71625646) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71625646
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ncc(-c3ccc(N(C)C)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-24(2)15-8-6-13(7-9-15)16-12-22-21(23-16)19(25)14-10-17(26-3)20(28-5)18(11-14)27-4/h6-12H,1-5H3,(H,22,23)
InChIKeyKQXUMYSVSBREPO-UHFFFAOYSA-N
XLogP3.40
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 71625646) is [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ncc(-c3ccc(N(C)C)cc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KQXUMYSVSBREPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-24(2)15-8-6-13(7-9-15)16-12-22-21(23-16)19(25)14-10-17(26-3)20(28-5)18(11-14)27-4/h6-12H,1-5H3,(H,22,23).
What are the key properties of [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 381.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71625646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).