methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate

C26H18Cl2N4O4 — CID 66965705

IUPACmethyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate
SMILESCOC(=O)COc1cc(Cl)c(-c2nc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C26H18Cl2N4O4/c1-35-23(33)13-36-16-11-17(27)24(18(28)12-16)25-30-20-8-6-15(10-21(20)31-25)26(34)32-22-9-7-14-4-2-3-5-19(14)29-22/h2-12H,13H2,1H3,(H,30,31)(H,29,32,34)
InChIKeyLEDWGUOLJHIATK-UHFFFAOYSA-N
MW521.36 g/mol
LogP5.89
Rot. Bonds6

About methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate

methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate (PubChem CID 66965705) has the molecular formula C26H18Cl2N4O4 and a molecular weight of 521.36 g/mol. Its IUPAC name is methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate
PubChem CID66965705
Molecular FormulaC26H18Cl2N4O4
Molecular Weight521.36 g/mol
Exact Mass520.07
IUPAC Namemethyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate
SMILESCOC(=O)COc1cc(Cl)c(-c2nc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(Cl)c1
InChIInChI=1S/C26H18Cl2N4O4/c1-35-23(33)13-36-16-11-17(27)24(18(28)12-16)25-30-20-8-6-15(10-21(20)31-25)26(34)32-22-9-7-14-4-2-3-5-19(14)29-22/h2-12H,13H2,1H3,(H,30,31)(H,29,32,34)
InChIKeyLEDWGUOLJHIATK-UHFFFAOYSA-N
XLogP5.89
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.36
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate with MolForge

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Related Compounds

2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 173123224
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
methyl 2-[3,5-dichloro-4-[6-[(4-methylcyclohepta-1,3,5-trien-1-yl)carbamoyl]-1H-benzimidazol-2-yl]phenoxy]acetate
CID 143659583
methyl 2-[4-[6-[[(4-chlorobenzoyl)amino]carbamoyl]-1H-benzimidazol-2-yl]-3,5-dimethylphenoxy]acetate
CID 66966773
methyl 2-[2-methoxy-4-(quinolin-2-ylcarbamoyl)phenoxy]acetate
CID 55773339
2-[4-(2-diethoxyphosphorylethenyl)-2,6-dimethylphenyl]-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 91558660
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156130
methyl 2-[[2-[4-(1H-indol-6-ylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]oxy]acetate
CID 67687248
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
CID 58156302
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate?
The IUPAC name of methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate (CID 66965705) is methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate is COC(=O)COc1cc(Cl)c(-c2nc3ccc(C(=O)Nc4ccc5ccccc5n4)cc3[nH]2)c(Cl)c1.
What is the InChIKey of methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate?
The InChIKey is LEDWGUOLJHIATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N4O4/c1-35-23(33)13-36-16-11-17(27)24(18(28)12-16)25-30-20-8-6-15(10-21(20)31-25)26(34)32-22-9-7-14-4-2-3-5-19(14)29-22/h2-12H,13H2,1H3,(H,30,31)(H,29,32,34).
What are the key properties of methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate?
methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate has a molecular weight of 521.36 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate is sourced from PubChem (CID 66965705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).