methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate

C17H16N2O3 — CID 70037034

IUPACmethyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate
SMILESCOC(=O)C(OC)c1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16N2O3/c1-21-15(17(20)22-2)11-6-5-7-12(10-11)16-18-13-8-3-4-9-14(13)19-16/h3-10,15H,1-2H3,(H,18,19)
InChIKeyJZUVVUTVVUXATD-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.09
Rot. Bonds4

About methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate

methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate (PubChem CID 70037034) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate.

Molecular Properties

Compound Namemethyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate
PubChem CID70037034
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate
SMILESCOC(=O)C(OC)c1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H16N2O3/c1-21-15(17(20)22-2)11-6-5-7-12(10-11)16-18-13-8-3-4-9-14(13)19-16/h3-10,15H,1-2H3,(H,18,19)
InChIKeyJZUVVUTVVUXATD-UHFFFAOYSA-N
XLogP3.09
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
(2S)-2-[3-(1H-benzimidazol-2-yl)anilino]-N,N-dimethyl-2-phenylacetamide
CID 40790879
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
CID 168555256
dimethyl (E)-2-[3-(1H-benzimidazol-2-yl)anilino]but-2-enedioate
CID 168568180
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
2-(1H-benzimidazol-2-yl)-2-methoxyacetamide
CID 118108500
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate?
The IUPAC name of methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate (CID 70037034) is methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate.
What is the SMILES notation for methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate?
The canonical SMILES for methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate is COC(=O)C(OC)c1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate?
The InChIKey is JZUVVUTVVUXATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-15(17(20)22-2)11-6-5-7-12(10-11)16-18-13-8-3-4-9-14(13)19-16/h3-10,15H,1-2H3,(H,18,19).
What are the key properties of methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate?
methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate has a molecular weight of 296.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1H-benzimidazol-2-yl)phenyl]-2-methoxyacetate is sourced from PubChem (CID 70037034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).