methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate

C30H25Cl2N3O3 — CID 68583797

IUPACmethyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate
SMILESCOC(=O)CNc1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C30H25Cl2N3O3/c1-37-25-11-5-20-13-19(3-4-21(20)15-25)14-29-34-28(26-12-6-22(31)16-27(26)32)18-35(29)24-9-7-23(8-10-24)33-17-30(36)38-2/h3-13,15-16,18,33H,14,17H2,1-2H3
InChIKeyNKNASKIKBCDNHM-UHFFFAOYSA-N
MW546.45 g/mol
LogP7.18
Rot. Bonds8

About methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate

methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate (PubChem CID 68583797) has the molecular formula C30H25Cl2N3O3 and a molecular weight of 546.45 g/mol. Its IUPAC name is methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate
PubChem CID68583797
Molecular FormulaC30H25Cl2N3O3
Molecular Weight546.45 g/mol
Exact Mass545.13
IUPAC Namemethyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate
SMILESCOC(=O)CNc1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C30H25Cl2N3O3/c1-37-25-11-5-20-13-19(3-4-21(20)15-25)14-29-34-28(26-12-6-22(31)16-27(26)32)18-35(29)24-9-7-23(8-10-24)33-17-30(36)38-2/h3-13,15-16,18,33H,14,17H2,1-2H3
InChIKeyNKNASKIKBCDNHM-UHFFFAOYSA-N
XLogP7.18
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.45
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate with MolForge

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Related Compounds

2-[4-[2-[[4-(5-cyclohexyl-2-pyridinyl)phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]acetamide
CID 143521270
N-[2-[4-[4-(2,4-dichlorophenyl)-2-[[4-(4-pentylphenyl)phenyl]methyl]imidazol-1-yl]anilino]ethyl]thiohydroxylamine
CID 143521149
4-[4-(2,4-dichlorophenyl)-2-[[4-[4-[3-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-N-methylbenzamide
CID 58231269
5-[4-(2,4-dichlorophenyl)-2-[[4-[4-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]methyl]imidazol-1-yl]-2-methylsulfonylbenzoic acid
CID 58231150
[3-[2-[[4-[4-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]anilino]methyl acetate
CID 150755080
methyl 2-[4-[[2-[(E)-2-[4-(5-acetylthiophen-2-yl)phenyl]ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]anilino]acetate
CID 67118311
5-[4-(2,4-dichlorophenyl)-2-[[4-(4-hydroxyphenyl)phenyl]methyl]imidazol-1-yl]-2-(trifluoromethyl)benzoic acid
CID 52918806
methyl 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]acetate
CID 15458625
(2-amino-2-oxoethyl)-[4-[4-(2,4-dichlorophenyl)-2-[[4-(3-hydroxyphenyl)phenyl]methyl]imidazol-1-yl]phenyl]azanium
CID 143521145
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
CID 50751113
[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone
CID 11281595
5-[4-(2,4-dichlorophenyl)-2-[[4-[4-(4-nitrophenoxy)phenyl]phenyl]methyl]imidazol-1-yl]-2-(trifluoromethyl)benzoic acid
CID 58231317

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate?
The IUPAC name of methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate (CID 68583797) is methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate.
What is the SMILES notation for methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate?
The canonical SMILES for methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate is COC(=O)CNc1ccc(-n2cc(-c3ccc(Cl)cc3Cl)nc2Cc2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate?
The InChIKey is NKNASKIKBCDNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2N3O3/c1-37-25-11-5-20-13-19(3-4-21(20)15-25)14-29-34-28(26-12-6-22(31)16-27(26)32)18-35(29)24-9-7-23(8-10-24)33-17-30(36)38-2/h3-13,15-16,18,33H,14,17H2,1-2H3.
What are the key properties of methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate?
methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate has a molecular weight of 546.45 g/mol, XLogP of 7.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(2,4-dichlorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl]imidazol-1-yl]anilino]acetate is sourced from PubChem (CID 68583797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).