4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde

C20H19ClFN3O2 — CID 146630610

IUPAC4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde
SMILESCN(C)Cc1ncc(-c2ccc(Oc3cc(Cl)c(F)cc3C=O)cc2)n1C
InChIInChI=1S/C20H19ClFN3O2/c1-24(2)11-20-23-10-18(25(20)3)13-4-6-15(7-5-13)27-19-9-16(21)17(22)8-14(19)12-26/h4-10,12H,11H2,1-3H3
InChIKeyNAWCFYGAJCTWHA-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.55
Rot. Bonds6

About 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde

4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde (PubChem CID 146630610) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde
PubChem CID146630610
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde
SMILESCN(C)Cc1ncc(-c2ccc(Oc3cc(Cl)c(F)cc3C=O)cc2)n1C
InChIInChI=1S/C20H19ClFN3O2/c1-24(2)11-20-23-10-18(25(20)3)13-4-6-15(7-5-13)27-19-9-16(21)17(22)8-14(19)12-26/h4-10,12H,11H2,1-3H3
InChIKeyNAWCFYGAJCTWHA-UHFFFAOYSA-N
XLogP4.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-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

(3R)-6-[2-[[2-(4-chloro-3-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752343
(3R)-6-[2-[[2-(4-chlorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752324
(3R)-6-[2-[[2-(4-chlorophenyl)-5-(trifluoromethyl)imidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 132009612
6-[2-[[2-(4-Chloro-3-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-3-methylhexanoic acid
CID 126752345
3-(4-Chlorophenyl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1389162
1-[2-(4-Chlorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1400780
3-(4-chlorophenyl)-1-(1-(4-ethoxyphenyl)-1-oxopropan-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 44662994
US10273222, Example 32
CID 90407372
6-[2-[[2-(4-Chloro-3-fluorophenyl)-5-methylimidazol-1-yl]methyl]phenoxy]-2,2-dimethylhexanoic acid
CID 126752382
4-((2-(6-chloropyridin-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)benzamide
CID 25102758
1-[2-(2-Chlorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1398206
4-chloro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 5104280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde?
The IUPAC name of 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde (CID 146630610) is 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde.
What is the SMILES notation for 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde?
The canonical SMILES for 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde is CN(C)Cc1ncc(-c2ccc(Oc3cc(Cl)c(F)cc3C=O)cc2)n1C.
What is the InChIKey of 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde?
The InChIKey is NAWCFYGAJCTWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-24(2)11-20-23-10-18(25(20)3)13-4-6-15(7-5-13)27-19-9-16(21)17(22)8-14(19)12-26/h4-10,12H,11H2,1-3H3.
What are the key properties of 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde?
4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde has a molecular weight of 387.84 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-[2-[(dimethylamino)methyl]-3-methylimidazol-4-yl]phenoxy]-5-fluorobenzaldehyde is sourced from PubChem (CID 146630610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).