[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H23N3O5 — CID 141409884

IUPAC[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]2)cc1N
InChIInChI=1S/C21H23N3O5/c1-11-18(24-21(23-11)12-6-7-15(26-2)14(22)8-12)19(25)13-9-16(27-3)20(29-5)17(10-13)28-4/h6-10H,22H2,1-5H3,(H,23,24)
InChIKeyHPDLSTDRHGETBL-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.23
Rot. Bonds7

About [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 141409884) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID141409884
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]2)cc1N
InChIInChI=1S/C21H23N3O5/c1-11-18(24-21(23-11)12-6-7-15(26-2)14(22)8-12)19(25)13-9-16(27-3)20(29-5)17(10-13)28-4/h6-10H,22H2,1-5H3,(H,23,24)
InChIKeyHPDLSTDRHGETBL-UHFFFAOYSA-N
XLogP3.23
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409878
5-(4-ethyl-5-methyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394076
[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67888868
methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 160633416
2-methoxy-5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 81137784
(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 25064338
isoquinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 102334723
2-(3-amino-4-methoxyphenyl)-3H-benzimidazol-5-ol
CID 81432559
(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59138493
(3-propan-2-yloxyquinoxalin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 141466071
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
(4,5-diphenyl-1H-imidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 102234991

Frequently Asked Questions

What is the IUPAC name of [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 141409884) is [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]2)cc1N.
What is the InChIKey of [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HPDLSTDRHGETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-11-18(24-21(23-11)12-6-7-15(26-2)14(22)8-12)19(25)13-9-16(27-3)20(29-5)17(10-13)28-4/h6-10H,22H2,1-5H3,(H,23,24).
What are the key properties of [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 397.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 141409884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).