methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate

C16H13BrN2O3 — CID 168554534

IUPACmethyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate
SMILESCOC(=O)COc1ccc(Br)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H13BrN2O3/c1-21-15(20)9-22-14-7-6-10(17)8-11(14)16-18-12-4-2-3-5-13(12)19-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyIPIHVDRRNDQRBR-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.54
Rot. Bonds4

About methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate

methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate (PubChem CID 168554534) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate
PubChem CID168554534
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Namemethyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate
SMILESCOC(=O)COc1ccc(Br)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H13BrN2O3/c1-21-15(20)9-22-14-7-6-10(17)8-11(14)16-18-12-4-2-3-5-13(12)19-16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyIPIHVDRRNDQRBR-UHFFFAOYSA-N
XLogP3.54
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate 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

ethyl 3-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]propanoate
CID 168554937
ethyl 4-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]butanoate
CID 168554935
methyl 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate
CID 168555121
ethyl 2-[4-(1H-benzimidazol-2-yl)-5-bromo-2-ethoxyphenoxy]acetate
CID 168555033
methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
CID 168554331
N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 2553894
2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 3329340
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
methyl 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetate
CID 645213
methyl 2-(5-bromo-2-methoxyphenoxy)acetate
CID 178201298
methyl 2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]acetate
CID 63365900

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate?
The IUPAC name of methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate (CID 168554534) is methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate.
What is the SMILES notation for methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate?
The canonical SMILES for methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate is COC(=O)COc1ccc(Br)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate?
The InChIKey is IPIHVDRRNDQRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-21-15(20)9-22-14-7-6-10(17)8-11(14)16-18-12-4-2-3-5-13(12)19-16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate?
methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate has a molecular weight of 361.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate is sourced from PubChem (CID 168554534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).