2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde

C20H20FN3O2 — CID 148761009

IUPAC2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde
SMILESCN(C)Cc1ncc(-c2ccc(Oc3c(F)cccc3C=O)cc2)n1C
InChIInChI=1S/C20H20FN3O2/c1-23(2)12-19-22-11-18(24(19)3)14-7-9-16(10-8-14)26-20-15(13-25)5-4-6-17(20)21/h4-11,13H,12H2,1-3H3
InChIKeyOGOHZICRCNWMDS-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.89
Rot. Bonds6

About 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde

2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde (PubChem CID 148761009) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde
PubChem CID148761009
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde
SMILESCN(C)Cc1ncc(-c2ccc(Oc3c(F)cccc3C=O)cc2)n1C
InChIInChI=1S/C20H20FN3O2/c1-23(2)12-19-22-11-18(24(19)3)14-7-9-16(10-8-14)26-20-15(13-25)5-4-6-17(20)21/h4-11,13H,12H2,1-3H3
InChIKeyOGOHZICRCNWMDS-UHFFFAOYSA-N
XLogP3.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid
CID 117629741
5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide
CID 118189551
(E)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-methylimidazol-1-yl]methyl]phenoxy]-4-methylhex-4-enoic acid
CID 121269564
(E)-4-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hex-4-enoic acid
CID 126752344
(R)-3-methyl-6-(2-((5-methyl-2-(4-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)methyl)phenoxy)hexanoic acid
CID 126752361
(3R)-6-[2-[[2-[4-(furan-2-yl)phenyl]-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 132009300
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
Dhodh-IN-20
CID 156249421
5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 166630831
Bocidelpar
CID 126752383

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde?
The IUPAC name of 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde (CID 148761009) is 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde is CN(C)Cc1ncc(-c2ccc(Oc3c(F)cccc3C=O)cc2)n1C.
What is the InChIKey of 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde?
The InChIKey is OGOHZICRCNWMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-23(2)12-19-22-11-18(24(19)3)14-7-9-16(10-8-14)26-20-15(13-25)5-4-6-17(20)21/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde?
2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde has a molecular weight of 353.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 148761009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).