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

C19H19FN2O4 — CID 69035895

IUPAC[2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CN=C(c3cccc(F)c3)N2)cc(OC)c1OC
InChIInChI=1S/C19H19FN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)14-10-21-19(22-14)11-5-4-6-13(20)7-11/h4-9,14H,10H2,1-3H3,(H,21,22)
InChIKeyUJFOQLKQCLKCQC-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.45
Rot. Bonds6

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

[2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 69035895) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID69035895
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name[2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CN=C(c3cccc(F)c3)N2)cc(OC)c1OC
InChIInChI=1S/C19H19FN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)14-10-21-19(22-14)11-5-4-6-13(20)7-11/h4-9,14H,10H2,1-3H3,(H,21,22)
InChIKeyUJFOQLKQCLKCQC-UHFFFAOYSA-N
XLogP2.45
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-5-(3-fluorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175914387
4-[5-(3,4,5-trimethoxybenzoyl)-1,4,5,6-tetrahydropyrimidin-2-yl]benzamide
CID 139224158
[4-(3-fluorophenyl)thiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171618872
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 60552407
(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 67120512
3-(3-fluorophenyl)-4,5-dimethoxypyridine
CID 174673027
2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 84787352
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 40871148
5-(3-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237182
2-(3-fluorophenyl)-4-methoxyquinoline-7-carbonyl chloride
CID 169130695
1-[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42431396
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 69035895) is [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)C2CN=C(c3cccc(F)c3)N2)cc(OC)c1OC.
What is the InChIKey of [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UJFOQLKQCLKCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)14-10-21-19(22-14)11-5-4-6-13(20)7-11/h4-9,14H,10H2,1-3H3,(H,21,22).
What are the key properties of [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 358.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 69035895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).