methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C23H26N4O5 — CID 155927819

IUPACmethyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N/NC(=O)Cn2c(C(C)C)nc3ccccc32)cc1OC
InChIInChI=1S/C23H26N4O5/c1-15(2)23-25-17-7-5-6-8-18(17)27(23)13-21(28)26-24-12-16-9-10-19(20(11-16)30-3)32-14-22(29)31-4/h5-12,15H,13-14H2,1-4H3,(H,26,28)/b24-12+
InChIKeyQLKUXYFRFGQJJQ-WYMPLXKRSA-N
MW438.48 g/mol
LogP2.87
Rot. Bonds9

About methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate

methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 155927819) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID155927819
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Namemethyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N/NC(=O)Cn2c(C(C)C)nc3ccccc32)cc1OC
InChIInChI=1S/C23H26N4O5/c1-15(2)23-25-17-7-5-6-8-18(17)27(23)13-21(28)26-24-12-16-9-10-19(20(11-16)30-3)32-14-22(29)31-4/h5-12,15H,13-14H2,1-4H3,(H,26,28)/b24-12+
InChIKeyQLKUXYFRFGQJJQ-WYMPLXKRSA-N
XLogP2.87
TPSA104.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate with MolForge

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Related Compounds

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 127033876
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 3721695
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 136801937
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 135613980
3-(1-benzylbenzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methylideneamino]propanamide
CID 66851454
methyl 2-[5-[[[2-[5,6-dichloro-2-(4-methoxyphenyl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 172676460
methyl 2-[4-[[[3-(2-bromoanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 5196442
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5450407
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354023
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3362860
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 4840051
methyl 2-[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 17245435

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 155927819) is methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate is COC(=O)COc1ccc(/C=N/NC(=O)Cn2c(C(C)C)nc3ccccc32)cc1OC.
What is the InChIKey of methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is QLKUXYFRFGQJJQ-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-15(2)23-25-17-7-5-6-8-18(17)27(23)13-21(28)26-24-12-16-9-10-19(20(11-16)30-3)32-14-22(29)31-4/h5-12,15H,13-14H2,1-4H3,(H,26,28)/b24-12+.
What are the key properties of methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 438.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-[(E)-[[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 155927819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).